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(1S)-2,2,5-trimethyl-1-cyclohepta-3,5-dienecarboxylic acid methyl ester
SpectraBase Compound ID JsVLcGZkCgf
InChI InChI=1S/C12H18O2/c1-9-5-6-10(11(13)14-4)12(2,3)8-7-9/h5,7-8,10H,6H2,1-4H3/t10-/m1/s1
InChIKey HMFUCWXEYWFAEI-SNVBAGLBSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42PI72tWCSE
Name (1S)-2,2,5-trimethyl-1-cyclohepta-3,5-dienecarboxylic acid methyl ester
CAS Registry Number 128551-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-9-5-6-10(11(13)14-4)12(2,3)8-7-9/h5,7-8,10H,6H2,1-4H3/t10-/m1/s1
InChIKey HMFUCWXEYWFAEI-SNVBAGLBSA-N
Molecular Weight 194.274 g/mol
SMILES [C@@]1(C(C=CC(=CC1)C)(C)C)(C(=O)OC)[H]
SPLASH splash10-00kf-5900000000-fa30574215fff182f226
Source of Spectrum K-124-197-20
Synonyms (1S)-2,2,5-trimethylcyclohepta-3,5-diene-1-carboxylic acid methyl ester Methyl (1S)-2,2,5-trimethylcyclohepta-3,5-diene-1-carboxylate
Wiley ID 1191203