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(1S,6S)-6-Methoxycarbonyl-2,2,3-trimethylcyclohex-3-ene-1-carboxylic acid
SpectraBase Compound ID 2ot7DsjLcFl
InChI InChI=1S/C12H18O4/c1-7-5-6-8(11(15)16-4)9(10(13)14)12(7,2)3/h5,8-9H,6H2,1-4H3,(H,13,14)/t8-,9+/m0/s1
InChIKey BUWCOANAOQGZEA-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 BqGxgtY07Wa
Name (1S,6S)-6-Methoxycarbonyl-2,2,3-trimethylcyclohex-3-ene-1-carboxylic acid
Alternate Name(s) (+-)-(1R*,6R*)-6-Methoxycarbonyl-2,2,3-trimethylcyclohex-3-ene-1-carboxylic acid (1S,6S)-6-(methoxycarbonyl)-2,2,3-trimethyl-3-cyclohexene-1-carboxylic acid
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7-5-6-8(11(15)16-4)9(10(13)14)12(7,2)3/h5,8-9H,6H2,1-4H3,(H,13,14)/t8-,9+/m0/s1
InChIKey BUWCOANAOQGZEA-DTWKUNHWSA-N
Molecular Weight 226.272 g/mol
SMILES OC([C@@]1(C(C(C)=CC[C@@]1(C(=O)OC)[H])(C)C)[H])=O
SPLASH splash10-05fr-3900000000-f5333d8984b4c054da54
Source of Spectrum F-57-735-6
Wiley ID 1549407