| SpectraBase Spectrum ID |
AJz5aqQpRj5 |
| Name |
Glutaric acid, 5-bromo-2-methoxybenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.041586707 u |
| Formula |
C15H19BrO5 |
| InChI |
InChI=1S/C15H19BrO5/c1-3-20-14(17)5-4-6-15(18)21-10-11-9-12(16)7-8-13(11)19-2/h7-9H,3-6,10H2,1-2H3 |
| InChIKey |
HGZHGHUSXSSKJR-UHFFFAOYSA-N |
| Molecular Weight |
359.216 g/mol |
| SMILES |
C(OCC=1C=C(C=CC1OC)Br)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939431 |
