| SpectraBase Spectrum ID |
9u2kNVZbyZ3 |
| Name |
Succinic acid, 2-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)20-10-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3 |
| InChIKey |
QKIMZZSWFPEZPY-UHFFFAOYSA-N |
| Molecular Weight |
343.217 g/mol |
| SMILES |
C(CCC(OCC=1C(Br)=CC=CC1)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928255 |
