| SpectraBase Spectrum ID |
3CH8RZqJORG |
| Name |
4-Butyl-benzoic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.051757469 u |
| Formula |
C19H19BrO3 |
| InChI |
InChI=1S/C19H19BrO3/c1-2-3-4-14-5-7-16(8-6-14)19(22)23-13-18(21)15-9-11-17(20)12-10-15/h5-12H,2-4,13H2,1H3 |
| InChIKey |
GIRYWYFGJLAOGL-UHFFFAOYSA-N |
| Molecular Weight |
375.262 g/mol |
| SMILES |
C1(=CC=C(C=C1)CCCC)C(OCC(C1=CC=C(Br)C=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866247 |
