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tert-Butyl 2-(phenylthio)acetate
SpectraBase Compound ID EO1wEmN6LDt
InChI InChI=1S/C12H16O2S/c1-12(2,3)14-11(13)9-15-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey DCBFWYUEVNDENZ-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 GD7UArvD5h5
Name Acetic acid, (phenylthio)-, 1,1-dimethylethyl ester
Alternate Name(s) tert-Butyl (phenylsulfanyl)acetate 2-(Phenylthio)acetic acid tert-butyl ester t-Butyl phenylthioacetate tert-Butyl 2-phenylsulfanylacetate tert-Butyl 2-phenylsulfanylethanoate
CAS Registry Number 63006-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-12(2,3)14-11(13)9-15-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey DCBFWYUEVNDENZ-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES CC(C)(C)OC(CSc1ccccc1)=O
SPLASH splash10-0ab9-9300000000-fb4b80e572952fd3b371
Source of Spectrum O-11-1263-1
Wiley ID 1224855