| SpectraBase Spectrum ID |
JIH1HOqcGzV |
| Name |
Succinic 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 |
513.962664358 u |
| Formula |
C20H20Br2O6 |
| InChI |
InChI=1S/C20H20Br2O6/c1-25-17-5-3-15(21)9-13(17)11-27-19(23)7-8-20(24)28-12-14-10-16(22)4-6-18(14)26-2/h3-6,9-10H,7-8,11-12H2,1-2H3 |
| InChIKey |
FYTWYJFPHCSPSQ-UHFFFAOYSA-N |
| Molecular Weight |
516.182 g/mol |
| SMILES |
C(CCC(OCC=1C(OC)=CC=C(Br)C1)=O)(OCC1=CC(=CC=C1OC)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921153 |
