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(1S,6S)-6-Methoxycarbonyl-4,5,5-trimethylcyclohex-3-ene-1-carboxylic acid
SpectraBase Compound ID Hdrz42xYJ0N
InChI InChI=1S/C12H18O4/c1-7-5-6-8(10(13)14)9(11(15)16-4)12(7,2)3/h5,8-9H,6H2,1-4H3,(H,13,14)/t8-,9+/m0/s1
InChIKey ONVDVGSHGZFXDQ-DTWKUNHWSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HoKfsGZuOEe
Name (1S,6S)-6-Methoxycarbonyl-4,5,5-trimethylcyclohex-3-ene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7-5-6-8(10(13)14)9(11(15)16-4)12(7,2)3/h5,8-9H,6H2,1-4H3,(H,13,14)/t8-,9+/m0/s1
InChIKey ONVDVGSHGZFXDQ-DTWKUNHWSA-N
Molecular Weight 226.272 g/mol
SMILES OC([C@@]1([C@@](C(C(C)=CC1)(C)C)(C(=O)OC)[H])[H])=O
SPLASH splash10-0a4l-4900000000-9600e6a30aece043b845
Source of Spectrum F-57-736-7
Synonyms (+-)-(1R*,6R*)-6-Methoxycarbonyl-4,5,5-trimethylcyclohex-3-ene-1-carboxylic acid (1S,6S)-6-(methoxycarbonyl)-4,5,5-trimethyl-3-cyclohexene-1-carboxylic acid
Wiley ID 1549405