| SpectraBase Spectrum ID |
m2WxFPl6y7 |
| Name |
Glutaric acid, 2-(3-bromophenyl)ethyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.046672088 u |
| Formula |
C15H19BrO4 |
| InChI |
InChI=1S/C15H19BrO4/c1-2-19-14(17)7-4-8-15(18)20-10-9-12-5-3-6-13(16)11-12/h3,5-6,11H,2,4,7-10H2,1H3 |
| InChIKey |
CQEJULHLZQKSTC-UHFFFAOYSA-N |
| Molecular Weight |
343.217 g/mol |
| SMILES |
C(OCCC1=CC=CC(=C1)Br)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941555 |
