| SpectraBase Spectrum ID |
7vFhcFFi41C |
| Name |
Benzoic acid, 2-chloro-4-methyl-, N'-[(2-propenylamino)carbonothioyl]hydrazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.054610956 u |
| Formula |
C12H14ClN3OS |
| InChI |
InChI=1S/C12H14ClN3OS/c1-3-6-14-12(18)16-15-11(17)9-5-4-8(2)7-10(9)13/h3-5,7H,1,6H2,2H3,(H,15,17)(H2,14,16,18) |
| InChIKey |
SCMBMEVNRRCLNB-UHFFFAOYSA-N |
| Molecular Weight |
283.777 g/mol |
| SMILES |
C=CCNC(NNC(=O)C1=C(Cl)C=C(C)C=C1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865197 |
![Benzoic acid, 2-chloro-4-methyl-, N'-[(2-propenylamino)carbonothioyl]hydrazide](/api/spectrum/7vFhcFFi41C/structure.png?h=300&w=458 "Benzoic acid, 2-chloro-4-methyl-, N'-[(2-propenylamino)carbonothioyl]hydrazide")
