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(+)-(1S,4S)-ACETIC-ACID-[4-HYDROXY-4-(CYANO-3-METHYLBUTA-1,3-DIENYL)-3,3,5-TRIMETHYLCYCLOHEX-2-ENYL]-ESTER
SpectraBase Compound ID IDIA1B4JzvE
InChI InChI=1S/C17H23NO3/c1-12(7-9-18)6-8-17(20)13(2)10-15(21-14(3)19)11-16(17,4)5/h6-8,10,15,20H,11H2,1-5H3/b8-6+,12-7-/t15-,17-/m1/s1
InChIKey NEQGIHPMWXJTDK-ZPQUDQFESA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVzca3NPagK
Name (+)-(1S,4S)-ACETIC-ACID-[4-HYDROXY-4-(CYANO-3-METHYLBUTA-1,3-DIENYL)-3,3,5-TRIMETHYLCYCLOHEX-2-ENYL]-ESTER
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-12(7-9-18)6-8-17(20)13(2)10-15(21-14(3)19)11-16(17,4)5/h6-8,10,15,20H,11H2,1-5H3/b8-6+,12-7-/t15-,17-/m1/s1
InChIKey NEQGIHPMWXJTDK-ZPQUDQFESA-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 289.375 g/mol
Solvent CDCl3
Source File Reference UWCS12558