| SpectraBase Spectrum ID |
DzDbcyBfx01 |
| Name |
3-Bromo-2-(4-methanesulfonyl-phenyl)-chromen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.956143004 u |
| Formula |
C16H11BrO4S |
| InChI |
InChI=1S/C16H11BrO4S/c1-22(19,20)11-8-6-10(7-9-11)16-14(17)15(18)12-4-2-3-5-13(12)21-16/h2-9H,1H3 |
| InChIKey |
HQWOAFPYYOKFRR-UHFFFAOYSA-N |
| Molecular Weight |
379.224 g/mol |
| SMILES |
C1(=C(OC=2C(C1=O)=CC=CC2)C=1C=CC(S(=O)(=O)C)=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89932 |
