| SpectraBase Spectrum ID |
1p6bkpSMwJ5 |
| Name |
3-Bromobenzoic acid, 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.009892657 u |
| Formula |
C15H13BrO2 |
| InChI |
InChI=1S/C15H13BrO2/c16-14-8-4-7-13(11-14)15(17)18-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2 |
| InChIKey |
KXRPMKHTXAENNX-UHFFFAOYSA-N |
| Molecular Weight |
305.171 g/mol |
| SMILES |
C1(=CC=CC=C1)CCOC(C=1C=CC=C(C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812457 |
