For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Chloro-4,4-dimethyl-3-(phenylsulfanyl)-2-pentanone
SpectraBase Compound ID C8RxLjVM641
InChI InChI=1S/C13H17ClOS/c1-13(2,3)12(11(15)9-14)16-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey LHGVCJKIAIZEMS-UHFFFAOYSA-N
Mol Weight 256.79 g/mol
Molecular Formula C13H17ClOS
Exact Mass 256.068864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DVSrKAkGRBh
Name 1-Chloro-4,4-dimethyl-3-(phenylsulfanyl)-2-pentanone
Alternate Name(s) 1-Chloranyl-4,4-dimethyl-3-phenylsulfanyl-pentan-2-one 1-Chloro-4,4-dimethyl-3-(phenylthio)-2-pentanone 1-Chloro-4,4-dimethyl-3-(phenylthio)pentan-2-one 1-Chloro-4,4-dimethyl-3-phenylsulfanyl-pentan-2-one 2-Propanone, 3-chloro-1-(1,1-dimethylethyl)-1-phenylthio-
CAS Registry Number 53258-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17ClOS
InChI InChI=1S/C13H17ClOS/c1-13(2,3)12(11(15)9-14)16-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey LHGVCJKIAIZEMS-UHFFFAOYSA-N
Molecular Weight 256.791 g/mol
SMILES CC(C)(C)C(C(CCl)=O)Sc1ccccc1
SPLASH splash10-066r-9300000000-f52688cc7b64129fb380
Source of Spectrum W5-1989-9464-1
Wiley ID 1259536