| SpectraBase Spectrum ID |
96GZpUsuMpY |
| Name |
1,3-Benzenediol, o-acryloyl-o'-(2-bromobenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.984071830 u |
| Formula |
C16H11BrO4 |
| InChI |
InChI=1S/C16H11BrO4/c1-2-15(18)20-11-6-5-7-12(10-11)21-16(19)13-8-3-4-9-14(13)17/h2-10H,1H2 |
| InChIKey |
UJMRTHUKQRLJTO-UHFFFAOYSA-N |
| Molecular Weight |
347.164 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(C1=CC=CC=C1Br)=O)OC(C=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93023 |
