| SpectraBase Spectrum ID |
37aQtZ3Rbqe |
| Name |
Benzeneacetic acid, 2-(bromomethyl)-alpha-methylene-, methyl ester; methyl 2-(2-bromomethylphenyl)acrylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.994242592 u |
| Formula |
C11H11BrO2 |
| InChI |
InChI=1S/C11H11BrO2/c1-8(11(13)14-2)10-6-4-3-5-9(10)7-12/h3-6H,1,7H2,2H3 |
| InChIKey |
GSRUBPHMUDKQDC-UHFFFAOYSA-N |
| Molecular Weight |
255.111 g/mol |
| SMILES |
C1=C(C(=CC=C1)CBr)C(C(OC)=O)=C |
| Spectrum/Structure Validation Score (Raman) |
0.972335 |
