| SpectraBase Spectrum ID |
FaKhX41bMkD |
| Name |
4H-1-Benzothiopyran-4-one, 3-[(4-methylphenyl)amino]-, 1,1-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.061614454 u |
| Formula |
C16H13NO3S |
| InChI |
InChI=1S/C16H13NO3S/c1-11-6-8-12(9-7-11)17-14-10-21(19,20)15-5-3-2-4-13(15)16(14)18/h2-10,17H,1H3 |
| InChIKey |
OCYFTLJPXBBHIJ-UHFFFAOYSA-N |
| Molecular Weight |
299.344 g/mol |
| SMILES |
C=1S(C=2C(C(C1NC=1C=CC(=CC1)C)=O)=CC=CC2)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880544 |
![4H-1-Benzothiopyran-4-one, 3-[(4-methylphenyl)amino]-, 1,1-dioxide](/api/spectrum/FaKhX41bMkD/structure.png?h=300&w=458 "4H-1-Benzothiopyran-4-one, 3-[(4-methylphenyl)amino]-, 1,1-dioxide")
