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Volumn 34, Issue 5, 1996, Pages 395-406

Improved 13C NMR shift prediction program for polysubstituted benzenes and sterically defined cyclohexane derivatives

Author keywords

13C NMR; NMR; Polysubstituted benzene derivatives; Polysubstituted cyclohexane derivatives; Windows shift prediction program

Indexed keywords

BENZENE; CHEMICAL SHIFT;

EID: 0030549610     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-458X(199605)34:5<395::AID-OMR886>3.0.CO;2-Q     Document Type: Article
Times cited : (8)

References (76)
  • 3
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    • Version 3.02. Softshell International, Grand Junction, CO.
    • Version 3.02. Softshell International, Grand Junction, CO.
  • 7
    • 0011983725 scopus 로고
    • SPECINFO. Chemical Concepts, available, e.g., through the host STN Karlsruhe; see also A. Barth, J. Chem. Inf. Comput. Sci. 33, 52 (1993).
    • (1993) J. Chem. Inf. Comput. Sci. , vol.33 , pp. 52
    • Barth, A.1
  • 12
    • 85161786080 scopus 로고    scopus 로고
    • A beta version of the installable program is available as a self-extracting file via WWW at or can be ordered as an installation disk for a setup within Windows (versions 3.1 up) from the author. It uses ca. 1 Mb of hard disk space including manuals and 700 sample spectra
    • HIPPO-CNMRS: Hoenig's Improved Program Of Carbon Nuclear Magnetic Resonance Shifts. A beta version of the installable program is available as a self-extracting file via WWW at Http:// www-orgc.tu-graz.ac.at/programs/nmr/ or can be ordered as an installation disk for a setup within Windows (versions 3.1 up) from the author. It uses ca. 1 Mb of hard disk space including manuals and 700 sample spectra.
    • HIPPO-CNMRS: Hoenig's Improved Program of Carbon Nuclear Magnetic Resonance Shifts
  • 19
  • 22
    • 85161727830 scopus 로고    scopus 로고
    • Data from this work
    • Data from this work.
  • 47
    • 85161793692 scopus 로고    scopus 로고
    • note
    • No data found in the literature, compound not commercially available, attempted preparation failed.
  • 58
    • 0027465010 scopus 로고
    • 2-acetylacetophenone taken from there; 2-acetylbenzaldehyde: wrong compound
    • R. M. Moriarty, B. A. Berglund and M. S. C. Rao, Synthesis, 318 (1993); 2-acetylacetophenone taken from there; 2-acetylbenzaldehyde: wrong compound?
    • (1993) Synthesis , pp. 318
    • Moriarty, R.M.1    Berglund, B.A.2    Rao, M.S.C.3
  • 59
    • 85161758343 scopus 로고    scopus 로고
    • Not stable
    • Not stable.
  • 62
    • 85161768507 scopus 로고
    • PhD Thesis, Technical University of Graz
    • N. D. Jumbam, PhD Thesis, Technical University of Graz (1991).
    • (1991)
    • Jumbam, N.D.1
  • 69
    • 0001592451 scopus 로고
    • the 13C NMR data given for methyl 2-O-acetylsalicylate apparently are derived from something else
    • M. Miski, A. Ulubelen and T. J. Mabry, Phytochemistry 22, 2231 (1983); the 13C NMR data given for methyl 2-O-acetylsalicylate apparently are derived from something else.
    • (1983) Phytochemistry , vol.22 , pp. 2231
    • Miski, M.1    Ulubelen, A.2    Mabry, T.J.3
  • 75
    • 85161776495 scopus 로고    scopus 로고
    • Although mentioned in the general index of Ref. 16, Vol. 3, as No. 1288C, under this No. in the respective volume there is a different compound
    • Although mentioned in the general index of Ref. 16, Vol. 3, as No. 1288C, under this No. in the respective volume there is a different compound.
  • 76
    • 0000472987 scopus 로고
    • 13C NMR data given for hydroquinone monoacetate apparently are derived from something else
    • 13C NMR data given for hydroquinone monoacetate apparently are derived from something else.
    • (1991) Phytochemistry , vol.30 , pp. 2803
    • Doganca, S.1    Ulubelen, A.2    Tuzlaci, E.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.