| SpectraBase Spectrum ID |
LaL35KdgKC6 |
| Name |
N-(3-Methyl-6-nitrobenzothiazolin-2-ylidene)-3-nitrobenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.037190607 u |
| Formula |
C15H10N4O5S |
| InChI |
InChI=1S/C15H10N4O5S/c1-17-12-6-5-11(19(23)24)8-13(12)25-15(17)16-14(20)9-3-2-4-10(7-9)18(21)22/h2-8H,1H3/b16-15- |
| InChIKey |
BFIOEXTWUINHJQ-NXVVXOECSA-N |
| Molecular Weight |
358.328 g/mol |
| SMILES |
C1=C2C(=CC=C1N(=O)=O)N(C)\C(S2)=N\C(=O)C1=CC(=CC=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819001 |
