| SpectraBase Spectrum ID |
Oc5l68v7A4 |
| Name |
7-Chloro-2,3-dihydro-alpha,alpha,alpha-trifluoro-4H-1,4-benzothiazine-4-carboxy-m-toluidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.031096376 u |
| Formula |
C16H12ClF3N2OS |
| InChI |
InChI=1S/C16H12ClF3N2OS/c17-11-4-5-13-14(9-11)24-7-6-22(13)15(23)21-12-3-1-2-10(8-12)16(18,19)20/h1-5,8-9H,6-7H2,(H,21,23) |
| InChIKey |
COMPKQBVJIHYSQ-UHFFFAOYSA-N |
| Molecular Weight |
372.793 g/mol |
| SMILES |
N(C(N1C=2C=CC(=CC2SCC1)Cl)=O)C=1C=C(C=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) |
0.745243 |
