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Cyclobutanecarboxylic acid, 1-(phenylthio)-, methyl ester

View entire compound with spectra: 1 MS (GC)

Cyclobutanecarboxylic acid, 1-(phenylthio)-, methyl ester
SpectraBase Compound ID InJxFIpDjBB
InChI InChI=1S/C12H14O2S/c1-14-11(13)12(8-5-9-12)15-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey FAFFGORZYPIQEL-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2nInZDn7a4
Name Cyclobutanecarboxylic acid, 1-(phenylthio)-, methyl ester
CAS Registry Number 72548-18-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-14-11(13)12(8-5-9-12)15-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey FAFFGORZYPIQEL-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES C1(C(=O)OC)(Sc2ccccc2)CCC1
SPLASH splash10-0a4r-9510000000-f05d30c8b99c71fbe4d4
Source of Spectrum C-101-7375-0
Synonyms Methyl 1-(phenylsulfanyl)cyclobutanecarboxylate Methyl 1-cyclobutane-1-phenylthiocarboxylate
Wiley ID 1222116