| SpectraBase Spectrum ID |
4h0wLsiyZjt |
| Name |
Glutaric acid, di(5-bromo-2-methoxybenzyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
527.978314422 u |
| Formula |
C21H22Br2O6 |
| InChI |
InChI=1S/C21H22Br2O6/c1-26-18-8-6-16(22)10-14(18)12-28-20(24)4-3-5-21(25)29-13-15-11-17(23)7-9-19(15)27-2/h6-11H,3-5,12-13H2,1-2H3 |
| InChIKey |
WPQAGABJTPUMHY-UHFFFAOYSA-N |
| Molecular Weight |
530.209 g/mol |
| SMILES |
C(OCC=1C=C(C=CC1OC)Br)(=O)CCCC(OCC1=C(OC)C=CC(=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859091 |
