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

*Links on SpectraBase are not permalinks.

4H-1,2,4-Triazole-3-thiol, 1-ethyl-5-(3,5-dimethoxyphenyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4H-1,2,4-Triazole-3-thiol, 1-ethyl-5-(3,5-dimethoxyphenyl)-
SpectraBase Compound ID BI7LEMrK3b4
InChI InChI=1S/C12H15N3O2S/c1-4-15-11(13-14-12(15)18)8-5-9(16-2)7-10(6-8)17-3/h5-7H,4H2,1-3H3,(H,14,18)
InChIKey DQRBFWVICTYVIO-UHFFFAOYSA-N
Mol Weight 265.33 g/mol
Molecular Formula C12H15N3O2S
Exact Mass 265.088498 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 eDphzKM0QH
Name 4H-1,2,4-Triazole-3-thiol, 1-ethyl-5-(3,5-dimethoxyphenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O2S
InChI InChI=1S/C12H15N3O2S/c1-4-15-11(13-14-12(15)18)8-5-9(16-2)7-10(6-8)17-3/h5-7H,4H2,1-3H3,(H,14,18)
InChIKey DQRBFWVICTYVIO-UHFFFAOYSA-N
Molecular Weight 265.331 g/mol
SMILES Sc1[n](c(nn1)-c1cc(cc(c1)OC)OC)CC
SPLASH splash10-02t9-3490000000-17c46c04626cbd3f84cf
Synonyms 3-(3,5-dimethoxyphenyl)-4-ethyl-1H-1,2,4-triazole-5-thione 5-(3,5-Dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Wiley ID 1455774