| SpectraBase Compound ID | 8r5Lf1OTLFD |
|---|---|
| InChI | InChI=1S/C14H11BrO2/c15-13-8-6-11(7-9-13)10-17-14(16)12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIKey | ZXNNWLRBSJBCPS-UHFFFAOYSA-N |
| Mol Weight | 291.14 g/mol |
| Molecular Formula | C14H11BrO2 |
| Exact Mass | 289.994243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7XvZmhq8C0M |
|---|---|
| Name | Benzoic acid, (4-bromophenyl)methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.994242592 u |
| Formula | C14H11BrO2 |
| InChI | InChI=1S/C14H11BrO2/c15-13-8-6-11(7-9-13)10-17-14(16)12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIKey | ZXNNWLRBSJBCPS-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)COC(C1=CC=CC=C1)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925864 |