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

*Links on SpectraBase are not permalinks.
1-[(1R*,2R*)-2-(Methylthio)cyclohexyl]-4-phenyl-1H-1,2,3-triazole
SpectraBase Compound ID IJfTTA5B9Ma
InChI InChI=1S/C15H19N3S/c1-19-15-10-6-5-9-14(15)18-11-13(16-17-18)12-7-3-2-4-8-12/h2-4,7-8,11,14-15H,5-6,9-10H2,1H3/t14-,15-/m1/s1
InChIKey ZKZLGFIISKAULV-HUUCEWRRSA-N
Mol Weight 273.4 g/mol
Molecular Formula C15H19N3S
Exact Mass 273.129969 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 1jKvdxCIUO4
Name 1-[(1R*,2R*)-2-(Methylthio)cyclohexyl]-4-phenyl-1H-1,2,3-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19N3S
InChI InChI=1S/C15H19N3S/c1-19-15-10-6-5-9-14(15)18-11-13(16-17-18)12-7-3-2-4-8-12/h2-4,7-8,11,14-15H,5-6,9-10H2,1H3/t14-,15-/m1/s1
InChIKey ZKZLGFIISKAULV-HUUCEWRRSA-N
Literature Reference DOI 10.1002/adsc.201000637
Molecular Weight 273.398 g/mol
SMILES c1(nn[n](c1)[C@]1([C@@](CCCC1)(SC)[H])[H])-c1ccccc1
SPLASH splash10-0059-7920000000-fd46fbba35b878a5bb40
Source of Spectrum ASC-352-3208/SM7-7
Synonyms 1-((1R,2R)-2-(methylthio)cyclohexyl)-4-phenyl-1H-1,2,3-triazole
Wiley ID 1764166