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Methyl 3-((4-Cyanophenyl)thio)propanoate

View entire compound with spectra: 1 MS (GC)

Methyl 3-((4-Cyanophenyl)thio)propanoate
SpectraBase Compound ID GBiI2xjXowu
InChI InChI=1S/C11H11NO2S/c1-14-11(13)6-7-15-10-4-2-9(8-12)3-5-10/h2-5H,6-7H2,1H3
InChIKey BNPGCWYQOIQGHI-UHFFFAOYSA-N
Mol Weight 221.27 g/mol
Molecular Formula C11H11NO2S
Exact Mass 221.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrFfdnlu2IR
Name Methyl 3-((4-Cyanophenyl)thio)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO2S
InChI InChI=1S/C11H11NO2S/c1-14-11(13)6-7-15-10-4-2-9(8-12)3-5-10/h2-5H,6-7H2,1H3
InChIKey BNPGCWYQOIQGHI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00208
Molecular Weight 221.274 g/mol
SMILES C(CCSc1ccc(cc1)C#N)(=O)OC
SPLASH splash10-0229-1970000000-0e4be7788c47386feecf
Source of Spectrum A1-18-876/SM16-3c
Wiley ID 1805245