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

*Links on SpectraBase are not permalinks.
1-(4-Ethyl-phenyl)-2-(5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
SpectraBase Compound ID FjZjkZk56nv
InChI InChI=1S/C18H17N3OS/c1-2-13-8-10-14(11-9-13)16(22)12-23-18-19-17(20-21-18)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,19,20,21)
InChIKey XEMJXCSLRGVTDQ-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C18H17N3OS
Exact Mass 323.109233 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 17sJk72NyC1
Name 1-(4-Ethyl-phenyl)-2-(5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3OS
InChI InChI=1S/C18H17N3OS/c1-2-13-8-10-14(11-9-13)16(22)12-23-18-19-17(20-21-18)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,19,20,21)
InChIKey XEMJXCSLRGVTDQ-UHFFFAOYSA-N
Molecular Weight 323.414 g/mol
SMILES [nH]1c(nnc1-c1ccccc1)SCC(c1ccc(cc1)CC)=O
SPLASH splash10-001i-4900000000-0dfff1502dcea4dbd18a
Synonyms 1-(4-Ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-(4-Ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone
Wiley ID 1459509