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3-Butenoic acid, 4-(phenylthio)-, ethyl ester, (E)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Butenoic acid, 4-(phenylthio)-, ethyl ester, (E)-
SpectraBase Compound ID BQyveogfCrw
InChI InChI=1S/C12H14O2S/c1-2-14-12(13)9-6-10-15-11-7-4-3-5-8-11/h3-8,10H,2,9H2,1H3/b10-6+
InChIKey OBFSJZPGBKDQAA-UXBLZVDNSA-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 I5clqesEsQS
Name 3-Butenoic acid, 4-(phenylthio)-, ethyl ester, (E)-
CAS Registry Number 88087-95-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-2-14-12(13)9-6-10-15-11-7-4-3-5-8-11/h3-8,10H,2,9H2,1H3/b10-6+
InChIKey OBFSJZPGBKDQAA-UXBLZVDNSA-N
Molecular Weight 222.302 g/mol
SMILES C(=O)(OCC)C\C=C\Sc1ccccc1
SPLASH splash10-0592-0920000000-54126b7d858dd2232443
Source of Spectrum KC-1986-1955-37
Wiley ID 1222147