| SpectraBase Spectrum ID |
ArHifPwZLle |
| Name |
4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(dimethylamino)-2-methylphenyl]-, 1,1-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.003427550 u |
| Formula |
C18H16BrNO3S |
| InChI |
InChI=1S/C18H16BrNO3S/c1-11-10-12(20(2)3)8-9-13(11)18-16(19)17(21)14-6-4-5-7-15(14)24(18,22)23/h4-10H,1-3H3 |
| InChIKey |
QGKKNJKCYHKKBC-UHFFFAOYSA-N |
| Molecular Weight |
406.294 g/mol |
| SMILES |
C=1(S(C=2C(C(C1Br)=O)=CC=CC2)(=O)=O)C=1C(=CC(=CC1)N(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860474 |
![4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(dimethylamino)-2-methylphenyl]-, 1,1-dioxide](/api/spectrum/ArHifPwZLle/structure.png?h=300&w=458 "4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(dimethylamino)-2-methylphenyl]-, 1,1-dioxide")
