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(+)-(1'S,4'S)-5-(1',4'-DIHYDROXY-2',6',6'-TRIMETHYLCYCLOHEX-2'-ENYL)-3-METHYLPENTA-2,4-DIENENITRILE
SpectraBase Compound ID 1MxxAH4vaji
InChI InChI=1S/C15H21NO2/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,13,17-18H,10H2,1-4H3/b7-5+,11-6-/t13-,15-/m1/s1
InChIKey JHYQFACGWRYPSE-NECDVQQDSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2EQJtpZwGq0
Name (+)-(1'S,4'S)-5-(1',4'-DIHYDROXY-2',6',6'-TRIMETHYLCYCLOHEX-2'-ENYL)-3-METHYLPENTA-2,4-DIENENITRILE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,13,17-18H,10H2,1-4H3/b7-5+,11-6-/t13-,15-/m1/s1
InChIKey JHYQFACGWRYPSE-NECDVQQDSA-N
Literature Reference Author D.J.BUSCHOR,C.H.EUGSTER
Literature Reference Citation HELV.CHIM.ACTA,73,1002(1990)
Literature Reference DOI 10.1002/hlca.19900730426
Molecular Weight 247.337 g/mol
Solvent CDCl3
Source File Reference UWCS12556