John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=GnyV3eJEF9h SpectraBase Spectrum ID=2bAZJW6ZKhB

(accessed ).
(3S,5R)/(3R,5S)-1-ETHYNYL-3,5-DIHYDROXY-2-METHYLCYCLOHEX-1-ENE
SpectraBase Compound ID GnyV3eJEF9h
InChI InChI=1S/2C9H12O2/c2*1-3-7-4-8(10)5-9(11)6(7)2/h2*1,8-11H,4-5H2,2H3/t2*8-,9+/m10/s1
InChIKey AGUNLGPRJZOTPT-QUOODJBBSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bAZJW6ZKhB
Name (3S,5R)/(3R,5S)-1-ETHYNYL-3,5-DIHYDROXY-2-METHYLCYCLOHEX-1-ENE
Compound Number (3+4)
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24O4
InChI InChI=1S/2C9H12O2/c2*1-3-7-4-8(10)5-9(11)6(7)2/h2*1,8-11H,4-5H2,2H3/t2*8-,9+/m10/s1
InChIKey AGUNLGPRJZOTPT-QUOODJBBSA-N
Literature Reference Author V.G.FERNANDEZ,M.FERRERO,S.FERNANDEZ,V.GOTOR
Literature Reference Citation J.ORG.CHEM.,67,1266(2002)
Literature Reference DOI 10.1021/jo010941+
Molecular Weight 304.386 g/mol
Solvent CDCl3
Source File Reference UWLU24941
SpectraBase Batch ID Aaa7u0Jt9A2