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Methyl 5-methyl-2-phenylthiocyclohex-3-ene-1-carboxylate
SpectraBase Compound ID 6JN7UNtHY3m
InChI InChI=1S/C15H18O2S/c1-11-8-9-14(13(10-11)15(16)17-2)18-12-6-4-3-5-7-12/h3-9,11,13-14H,10H2,1-2H3
InChIKey FVXHPFLGKSBRBN-UHFFFAOYSA-N
Mol Weight 262.37 g/mol
Molecular Formula C15H18O2S
Exact Mass 262.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ji4so6LGmz
Name Methyl 5-methyl-2-phenylthiocyclohex-3-ene-1-carboxylate
CAS Registry Number 113108-31-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2S
InChI InChI=1S/C15H18O2S/c1-11-8-9-14(13(10-11)15(16)17-2)18-12-6-4-3-5-7-12/h3-9,11,13-14H,10H2,1-2H3
InChIKey FVXHPFLGKSBRBN-UHFFFAOYSA-N
Molecular Weight 262.367 g/mol
SMILES C1(C(C=CC(C1)C)Sc1ccccc1)C(=O)OC
SPLASH splash10-0k9j-0920000000-633197f297af70c9865f
Source of Spectrum KC-1987-975-76
Synonyms Methyl 5-methyl-2-(phenylsulfanyl)-3-cyclohexene-1-carboxylate
Wiley ID 1265786