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

*Links on SpectraBase are not permalinks.
3H-1,2,4-Triazole-3-thione, 5-[(4-fluorophenoxy)methyl]-2,4-dihydro-4-(2-propenyl)-
SpectraBase Compound ID 1TQgNaTsa69
InChI InChI=1S/C12H12FN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18)
InChIKey MBIRTPPVLYZFHM-UHFFFAOYSA-N
Mol Weight 265.31 g/mol
Molecular Formula C12H12FN3OS
Exact Mass 265.068511 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JvfX2yxkTmj
Name 3H-1,2,4-Triazole-3-thione, 5-[(4-fluorophenoxy)methyl]-2,4-dihydro-4-(2-propenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.068511354 u
Formula C12H12FN3OS
InChI InChI=1S/C12H12FN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18)
InChIKey MBIRTPPVLYZFHM-UHFFFAOYSA-N
Molecular Weight 265.306 g/mol
SMILES C1(NN=C(N1CC=C)COC1=CC=C(C=C1)F)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915188