| SpectraBase Spectrum ID |
53FfVsv9FIe |
| Name |
3-Bromobenzoic acid, 2-propylphenyl 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/c1-2-6-12-7-3-4-10-15(12)19-16(18)13-8-5-9-14(17)11-13/h3-5,7-11H,2,6H2,1H3 |
| InChIKey |
RIIYRMCUWXNAOB-UHFFFAOYSA-N |
| Molecular Weight |
319.198 g/mol |
| SMILES |
C1=CC=C(C=C1C(=O)OC=1C(CCC)=CC=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888369 |
