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[2S-(2-ALPHA(S*),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA)]-ALPHA-[(OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANOBENZOFURAN-2-YL)-OXY]-BENZOLACETONITRIL

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[2S-(2-ALPHA(S*),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA)]-ALPHA-[(OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANOBENZOFURAN-2-YL)-OXY]-BENZOLACETONITRIL
SpectraBase Compound ID 9kNh1EBdJD6
InChI InChI=1S/C20H25NO2/c1-19(2)15-9-10-20(19,3)18-14(15)11-17(23-18)22-16(12-21)13-7-5-4-6-8-13/h4-8,14-18H,9-11H2,1-3H3/t14?,15-,16+,17-,18?,20+/m1/s1
InChIKey FHMPFFXPFQVPCZ-PXLOZZEYSA-N
Mol Weight 311.43 g/mol
Molecular Formula C20H25NO2
Exact Mass 311.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKHXWyA5fda
Name [2S-(2-ALPHA(S*),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA)]-ALPHA-[(OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANOBENZOFURAN-2-YL)-OXY]-BENZOLACETONITRIL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25NO2
InChI InChI=1S/C20H25NO2/c1-19(2)15-9-10-20(19,3)18-14(15)11-17(23-18)22-16(12-21)13-7-5-4-6-8-13/h4-8,14-18H,9-11H2,1-3H3/t14?,15-,16+,17-,18?,20+/m1/s1
InChIKey FHMPFFXPFQVPCZ-PXLOZZEYSA-N
Literature Reference Author C.R.NOE,M.KNOLLMUELLER,G.GOESTL,P.GAERTNER
Literature Reference Citation MH.CHEM.,122,283(1991)
Literature Reference DOI 10.1007/BF00810829
Molecular Weight 311.424 g/mol
Solvent CDCl3
Source File Reference UWFP615