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 |