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3-Pentanone, 2-methyl-2-(phenylthio)-
SpectraBase Compound ID 2omyHvJk6qN
InChI InChI=1S/C12H16OS/c1-4-11(13)12(2,3)14-10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKey LNCVCFBYUFUWGO-UHFFFAOYSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Cu5bmurnqM
Name 3-Pentanone, 2-methyl-2-(phenylthio)-
CAS Registry Number 95110-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-4-11(13)12(2,3)14-10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKey LNCVCFBYUFUWGO-UHFFFAOYSA-N
Molecular Weight 208.319 g/mol
SMILES C(Sc1ccccc1)(C(=O)CC)(C)C
SPLASH splash10-0udi-0900000000-25178c711b1af386269e
Source of Spectrum AJ-58-2853-5
Synonyms 2-Methyl-2-(phenylsulfanyl)-3-pentanone 2-Methyl-2-phenylthio-3-pentanone
Wiley ID 1206736