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Butanoic acid, 2-(phenylthio)-, ethyl ester
SpectraBase Compound ID CQI1vipTALv
InChI InChI=1S/C12H16O2S/c1-3-11(12(13)14-4-2)15-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey LQBKZUAILDJUKB-UHFFFAOYSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VuNGgH2jqc
Name Butanoic acid, 2-(phenylthio)-, ethyl ester
Alternate Name(s) 2-(Phenylthio)butanoic acid ethyl ester 2-(Phenylthio)butyric acid ethyl ester
CAS Registry Number 61829-56-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-3-11(12(13)14-4-2)15-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey LQBKZUAILDJUKB-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES C(C(Sc1ccccc1)CC)(=O)OCC
SPLASH splash10-0uk9-0910000000-bfa34cda02b400f504b0
Source of Spectrum KC-1977-20-2280
Wiley ID 1224852