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

*Links on SpectraBase are not permalinks.
1-Chloro-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetone
SpectraBase Compound ID 9zoHR2ja7vc
InChI InChI=1S/C11H10ClN3OS/c12-6-9(16)7-17-11-13-10(14-15-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14,15)
InChIKey LRDHPVJGKPFRRM-UHFFFAOYSA-N
Mol Weight 267.73 g/mol
Molecular Formula C11H10ClN3OS
Exact Mass 267.023311 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 DBs45Pyjb9d
Name 1-Chloro-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetone
CAS Registry Number 74829-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10ClN3OS
InChI InChI=1S/C11H10ClN3OS/c12-6-9(16)7-17-11-13-10(14-15-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14,15)
InChIKey LRDHPVJGKPFRRM-UHFFFAOYSA-N
Molecular Weight 267.734 g/mol
SMILES [nH]1nc(nc1-c1ccccc1)SCC(CCl)=O
SPLASH splash10-0f6x-4920000000-ec0e8cddbfebecbf4ad8
Source of Spectrum O-15-173-1
Synonyms 1-Chloranyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one 1-Chloro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one 1-Chloro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-2-propanone 1-Chloro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetone 3-Phenyl-5-(2-oxo-3-chloropropyl-thio-1,2,4-triazole
Wiley ID 1270932