| SpectraBase Spectrum ID |
7yjAZ5hGnon |
| Name |
Succinic acid, 4-bromobenzyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.046672088 u |
| Formula |
C15H19BrO4 |
| InChI |
InChI=1S/C15H19BrO4/c1-11(2)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3 |
| InChIKey |
COSQZGDNYBGLCG-UHFFFAOYSA-N |
| Molecular Weight |
343.217 g/mol |
| SMILES |
C(OC(=O)CCC(OCC(C)C)=O)C1=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847932 |
