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Hexanethioic acid, 3,3,5,5-tetramethyl-6-oxo-, S-phenyl ester
SpectraBase Compound ID 2GXSXQ8m7U3
InChI InChI=1S/C16H22O2S/c1-15(2,11-16(3,4)12-17)10-14(18)19-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKey BXKQSNOKCXQCFL-UHFFFAOYSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dm5LOpyCzr
Name Hexanethioic acid, 3,3,5,5-tetramethyl-6-oxo-, S-phenyl ester
Alternate Name(s) S-phenyl 3,3,5,5-tetramethyl-6-oxohexanethioate
CAS Registry Number 102108-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-15(2,11-16(3,4)12-17)10-14(18)19-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKey BXKQSNOKCXQCFL-UHFFFAOYSA-N
Molecular Weight 278.410 g/mol
SMILES C(Sc1ccccc1)(=O)CC(CC(C=O)(C)C)(C)C
SPLASH splash10-066r-0940000000-d25d75226b649c76f38d
Source of Spectrum J-51-2284-5
Wiley ID 1281992