| SpectraBase Spectrum ID |
Ed2iUwArlVV |
| Name |
N-(3-Methyl-6-nitrobenzothiazolin-2-ylidene)-m-toluamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.067762462 u |
| Formula |
C16H13N3O3S |
| InChI |
InChI=1S/C16H13N3O3S/c1-10-4-3-5-11(8-10)15(20)17-16-18(2)13-7-6-12(19(21)22)9-14(13)23-16/h3-9H,1-2H3/b17-16- |
| InChIKey |
UMUYYUXPVWACBY-MSUUIHNZSA-N |
| Molecular Weight |
327.358 g/mol |
| SMILES |
C1=C2C(=CC=C1N(=O)=O)N(C)\C(S2)=N\C(=O)C1=CC(C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917349 |
