| SpectraBase Spectrum ID |
JK9qo66xXqj |
| Name |
4H-1-Benzothiopyran-4-one, 3-bromo-2-(methylphenylamino)-, 1,1-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.972127421 u |
| Formula |
C16H12BrNO3S |
| InChI |
InChI=1S/C16H12BrNO3S/c1-18(11-7-3-2-4-8-11)16-14(17)15(19)12-9-5-6-10-13(12)22(16,20)21/h2-10H,1H3 |
| InChIKey |
QRWUWAPCHJVAJZ-UHFFFAOYSA-N |
| Molecular Weight |
378.240 g/mol |
| SMILES |
C=1(S(C=2C(C(C1Br)=O)=CC=CC2)(=O)=O)N(C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848955 |
