| SpectraBase Spectrum ID |
Hjpr8G6RKBS |
| Name |
Succinic acid, di(3-bromobenzyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.941534991 u |
| Formula |
C18H16Br2O4 |
| InChI |
InChI=1S/C18H16Br2O4/c19-15-5-1-3-13(9-15)11-23-17(21)7-8-18(22)24-12-14-4-2-6-16(20)10-14/h1-6,9-10H,7-8,11-12H2 |
| InChIKey |
MMXNQNZILSAQQK-UHFFFAOYSA-N |
| Molecular Weight |
456.130 g/mol |
| SMILES |
C(OC(=O)CCC(OCC1=CC(=CC=C1)Br)=O)C1=CC(=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919844 |
