| SpectraBase Spectrum ID |
IqfQNAsqEE3 |
| Name |
2-(4-Bromomethylphenyl)acetic acid benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.025542721 u |
| Formula |
C16H15BrO2 |
| InChI |
InChI=1S/C16H15BrO2/c17-11-14-8-6-13(7-9-14)10-16(18)19-12-15-4-2-1-3-5-15/h1-9H,10-12H2 |
| InChIKey |
NULZSYVCOGJFJP-UHFFFAOYSA-N |
| Molecular Weight |
319.198 g/mol |
| SMILES |
C(=O)(OCC=1C=CC=CC1)CC1=CC=C(C=C1)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864954 |
