| SpectraBase Spectrum ID |
8rl9Ba10Kit |
| Name |
Glutaric acid, 1-(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/c1-3-19-14(17)8-5-9-15(18)20-11(2)12-6-4-7-13(16)10-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3 |
| InChIKey |
CCSPCUCIWFWEFH-UHFFFAOYSA-N |
| Molecular Weight |
343.217 g/mol |
| SMILES |
C(OC(C)C1=CC=CC(=C1)Br)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93442 |
