| SpectraBase Spectrum ID |
FA6a7U6EFUs |
| Name |
Glutaric acid, 3-bromobenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.031022023 u |
| Formula |
C14H17BrO4 |
| InChI |
InChI=1S/C14H17BrO4/c1-2-18-13(16)7-4-8-14(17)19-10-11-5-3-6-12(15)9-11/h3,5-6,9H,2,4,7-8,10H2,1H3 |
| InChIKey |
CBJAGKUCPMOZHL-UHFFFAOYSA-N |
| Molecular Weight |
329.190 g/mol |
| SMILES |
C(OCC1=CC(=CC=C1)Br)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924191 |
