| SpectraBase Spectrum ID |
FzvvEsAMCtg |
| Name |
Glutaric acid, di(2-(4-bromophenyl)ethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.988485184 u |
| Formula |
C21H22Br2O4 |
| InChI |
InChI=1S/C21H22Br2O4/c22-18-8-4-16(5-9-18)12-14-26-20(24)2-1-3-21(25)27-15-13-17-6-10-19(23)11-7-17/h4-11H,1-3,12-15H2 |
| InChIKey |
WGIZTGCIEMOFAQ-UHFFFAOYSA-N |
| Molecular Weight |
498.211 g/mol |
| SMILES |
C(OCCC1=CC=C(C=C1)Br)(=O)CCCC(OCCC1=CC=C(C=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882781 |
