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Methyl 4-chloro-4-cyano-4-phenylthiobutanoate

View entire compound with spectra: 1 MS (GC)

Methyl 4-chloro-4-cyano-4-phenylthiobutanoate
SpectraBase Compound ID CRnYvXLZBgp
InChI InChI=1S/C12H12ClNO2S/c1-16-11(15)7-8-12(13,9-14)17-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey REIXWUBDLONBOR-UHFFFAOYSA-N
Mol Weight 269.75 g/mol
Molecular Formula C12H12ClNO2S
Exact Mass 269.027728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36amIzD47M
Name Methyl 4-chloro-4-cyano-4-phenylthiobutanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO2S
InChI InChI=1S/C12H12ClNO2S/c1-16-11(15)7-8-12(13,9-14)17-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey REIXWUBDLONBOR-UHFFFAOYSA-N
Molecular Weight 269.746 g/mol
SMILES C(C#N)(Sc1ccccc1)(Cl)CCC(=O)OC
SPLASH splash10-07or-0950000000-28406d842525f6df31a0
Source of Spectrum QA-41-808-5
Synonyms Methyl 4-chloro-4-cyano-4-(phenylsulfanyl)butanoate
Wiley ID 861888