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(+)-ETHYL-(1S,2S,6S)-1-ALLYL-2-HYDROXY-6-METHYLCYCLOHEXANECARBOXYLATE
SpectraBase Compound ID 7cICllLQSrj
InChI InChI=1S/C13H22O3/c1-4-9-13(12(15)16-5-2)10(3)7-6-8-11(13)14/h4,10-11,14H,1,5-9H2,2-3H3/t10-,11-,13-/m0/s1
InChIKey OPCAUNHQUHVNDG-GVXVVHGQSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HvjQgpHE2v
Name Cyclohexanecarboxylic acid, 2-hydroxy-6-methyl-1-(2-propenyl)-, ethyl ester, [1S-(1.alpha.,2.beta.,6.alpha.)]-
Alternate Name(s) (+)-Ethyl (1S,2S,6S)-1-allyl-2-hydroxy-6-methylcyclohexanecarboxylate Ethyl (1S,2S,6S)-1-allyl-2-hydroxy-6-methylcyclohexanecarboxylate
CAS Registry Number 127982-52-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-4-9-13(12(15)16-5-2)10(3)7-6-8-11(13)14/h4,10-11,14H,1,5-9H2,2-3H3/t10-,11-,13-/m0/s1
InChIKey OPCAUNHQUHVNDG-GVXVVHGQSA-N
Molecular Weight 226.316 g/mol
SMILES O[C@@]1([C@@](C(=O)OCC)([C@](CCC1)(C)[H])CC=C)[H]
SPLASH splash10-0a4l-8900000000-7982ca664849a2660824
Source of Spectrum H-72-1851-7
Wiley ID 1227598