| SpectraBase Spectrum ID |
58WrHjIg5qS |
| Name |
2-(3,4-Dimethylphenyl)-N-(2-methylallyl)hydrazinecarbothioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.129968798 u |
| Formula |
C13H19N3S |
| InChI |
InChI=1S/C13H19N3S/c1-9(2)8-14-13(17)16-15-12-6-5-10(3)11(4)7-12/h5-7,15H,1,8H2,2-4H3,(H2,14,16,17) |
| InChIKey |
IAEDJNKUDDOPIU-UHFFFAOYSA-N |
| Molecular Weight |
249.376 g/mol |
| SMILES |
C=C(CNC(NNC1=CC(=C(C=C1)C)C)=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901074 |
