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3-Hexanone-2-d, 2-(phenylthio)-

View entire compound with spectra: 1 MS (GC)

3-Hexanone-2-d, 2-(phenylthio)-
SpectraBase Compound ID diCdkTJcYo
InChI InChI=1S/C12H16OS/c1-3-7-12(13)10(2)14-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/i10D
InChIKey AZTNSIYZRGNXJX-MMIHMFRQSA-N
Mol Weight 209.33 g/mol
Molecular Formula C12H152DOS
Exact Mass 209.098463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCf7APMikmx
Name 3-Hexanone-2-d, 2-(phenylthio)-
CAS Registry Number 71221-52-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15DOS
InChI InChI=1S/C12H16OS/c1-3-7-12(13)10(2)14-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/i10D
InChIKey AZTNSIYZRGNXJX-MMIHMFRQSA-N
Molecular Weight 209.325 g/mol
SMILES C(Sc1ccccc1)(C(=O)CCC)(C)[2D]
SPLASH splash10-000i-0910000000-29f3b27662103754e7fd
Source of Spectrum KC-1979-1086-0
Synonyms (2-D)-2-phenylthiohexan-3-one
Wiley ID 1206748