| SpectraBase Spectrum ID |
LFGQuUr32G8 |
| Name |
3-Bromobenzoic acid, 4-isopropylphenyl 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/c1-11(2)12-6-8-15(9-7-12)19-16(18)13-4-3-5-14(17)10-13/h3-11H,1-2H3 |
| InChIKey |
HKKHRWVTKIMVIJ-UHFFFAOYSA-N |
| Molecular Weight |
319.198 g/mol |
| SMILES |
C(C1=CC(=CC=C1)Br)(=O)OC1=CC=C(C(C)C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817011 |
