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Methyl (4S)-2-ethynyl-4-hydroxy-1,3-dimethylcyclohex-2-ene-1-carboxylate
SpectraBase Compound ID 5JKDyfnnPZs
InChI InChI=1S/C12H16O3/c1-5-9-8(2)10(13)6-7-12(9,3)11(14)15-4/h1,10,13H,6-7H2,2-4H3/t10-,12?/m0/s1
InChIKey UTINCKRIKPGMAR-NUHJPDEHSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jqe5RHsUAgA
Name Methyl (4S)-2-ethynyl-4-hydroxy-1,3-dimethylcyclohex-2-ene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-5-9-8(2)10(13)6-7-12(9,3)11(14)15-4/h1,10,13H,6-7H2,2-4H3/t10-,12?/m0/s1
InChIKey UTINCKRIKPGMAR-NUHJPDEHSA-N
Molecular Weight 208.257 g/mol
SMILES O[C@@]1(C(=C(C(CC1)(C(=O)OC)C)C#C)C)[H]
SPLASH splash10-0537-1900000000-0a29e570399003bb4d55
Source of Spectrum U-1997-379-11
Synonyms Methyl (4S)-2-ethynyl-4-hydroxy-1,3-dimethyl-2-cyclohexene-1-carboxylate
Wiley ID 769485