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2-Butenoic acid, 3-methyl-4-(phenylthio)-, methyl ester, (E)-
SpectraBase Compound ID JXlDYUNagWG
InChI InChI=1S/C12H14O2S/c1-10(8-12(13)14-2)9-15-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/b10-8+
InChIKey UHNQTARJKOYHKB-CSKARUKUSA-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 Gu0jetIHuuh
Name 2-Butenoic acid, 3-methyl-4-(phenylthio)-, methyl ester, (E)-
CAS Registry Number 73311-58-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-10(8-12(13)14-2)9-15-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/b10-8+
InChIKey UHNQTARJKOYHKB-CSKARUKUSA-N
Molecular Weight 222.302 g/mol
SMILES C(\C=C\(CSc1ccccc1)C)(=O)OC
SPLASH splash10-03k9-0940000000-3cfe6aa90ea76d189eff
Source of Spectrum KC-1986-1705-65
Wiley ID 1222141