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1-(Phenylthio)pentan-3-one

View entire compound with spectra: 1 MS (GC)

1-(Phenylthio)pentan-3-one
SpectraBase Compound ID 3yg8Hk3WCbC
InChI InChI=1S/C11H14OS/c1-2-10(12)8-9-13-11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3
InChIKey VHMINZFGCLYYQL-UHFFFAOYSA-N
Mol Weight 194.29 g/mol
Molecular Formula C11H14OS
Exact Mass 194.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ycFbr0eEb7
Name 1-(Phenylthio)pentan-3-one
CAS Registry Number 108643-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14OS
InChI InChI=1S/C11H14OS/c1-2-10(12)8-9-13-11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3
InChIKey VHMINZFGCLYYQL-UHFFFAOYSA-N
Molecular Weight 194.292 g/mol
SMILES C(=O)(CCSc1ccccc1)CC
SPLASH splash10-0a6u-9800000000-72dc7757c1604e89ce3c
Source of Spectrum B-41-892-21
Synonyms 1-(Phenylthio)-3-pentanone
Wiley ID 1190570