| SpectraBase Spectrum ID |
Ep1hMZY4Y3V |
| Name |
Glutaric acid, 2-(3-bromophenyl)ethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.062322152 u |
| Formula |
C16H21BrO4 |
| InChI |
InChI=1S/C16H21BrO4/c1-2-10-20-15(18)7-4-8-16(19)21-11-9-13-5-3-6-14(17)12-13/h3,5-6,12H,2,4,7-11H2,1H3 |
| InChIKey |
HWKDSBPORRAWDY-UHFFFAOYSA-N |
| Molecular Weight |
357.244 g/mol |
| SMILES |
C(OCCC1=CC=CC(=C1)Br)(=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916254 |
