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Butyl 2-(benzylthio)propanoate

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

Butyl 2-(benzylthio)propanoate
SpectraBase Compound ID AOuOQNTlER5
InChI InChI=1S/C14H20O2S/c1-3-4-10-16-14(15)12(2)17-11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKey GORMABSKZNFHKH-UHFFFAOYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tiJqmtdvP1
Name Butyl 2-(benzylthio)propanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-3-4-10-16-14(15)12(2)17-11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKey GORMABSKZNFHKH-UHFFFAOYSA-N
Molecular Weight 252.372 g/mol
SMILES C(C(C)SCc1ccccc1)(=O)OCCCC
SPLASH splash10-00dl-9400000000-68a2d63d4dd1fccf32ac
Source of Spectrum KD-16-2589-11
Synonyms Butyl 2-(benzylsulfanyl)propanoate
Wiley ID 1637896