| SpectraBase Spectrum ID |
DK24VROfubw |
| Name |
4-Chloro-N-(3-methyl-6-nitrobenzothiazolin-2-ylidene)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.013140065 u |
| Formula |
C15H10ClN3O3S |
| InChI |
InChI=1S/C15H10ClN3O3S/c1-18-12-7-6-11(19(21)22)8-13(12)23-15(18)17-14(20)9-2-4-10(16)5-3-9/h2-8H,1H3/b17-15- |
| InChIKey |
PBLKFVVHDKKEFA-ICFOKQHNSA-N |
| Molecular Weight |
347.776 g/mol |
| SMILES |
C1=C2C(=CC=C1N(=O)=O)N(C)\C(S2)=N\C(=O)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937614 |
