| SpectraBase Spectrum ID |
D30ywHvGMHo |
| Name |
Glutaric acid, 4-bromo-2-methoxyphenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.025936642 u |
| Formula |
C14H17BrO5 |
| InChI |
InChI=1S/C14H17BrO5/c1-3-19-13(16)5-4-6-14(17)20-11-8-7-10(15)9-12(11)18-2/h7-9H,3-6H2,1-2H3 |
| InChIKey |
KXLUJJPWVGOXEI-UHFFFAOYSA-N |
| Molecular Weight |
345.189 g/mol |
| SMILES |
C(CCC(OCC)=O)C(OC1=CC=C(C=C1OC)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954791 |
