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Ethanethioic acid, phenoxy-, S-butyl ester
SpectraBase Compound ID 31RloGsZfWN
InChI InChI=1S/C12H16O2S/c1-2-3-9-15-12(13)10-14-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey LVIJKGQGENYGHC-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 4NLYXdxTP6
Name Ethanethioic acid, phenoxy-, S-butyl ester
Alternate Name(s) S-Butyl phenoxyethanethioate 2-Phenoxyethanethioic acid S-butyl ester S-butyl 2-phenoxyethanethioate S-Butyl phenoxythioacetate
CAS Registry Number 62170-10-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-2-3-9-15-12(13)10-14-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey LVIJKGQGENYGHC-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES CCCCSC(COc1ccccc1)=O
SPLASH splash10-0m29-9210000000-9670cba6b41266caf7c3
Source of Spectrum O-11-724-2
Wiley ID 1224854