| SpectraBase Spectrum ID |
8fmTkW3PbmT |
| Name |
Succinic acid, 2-bromobenzyl butyl 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/c1-2-3-10-19-14(17)8-9-15(18)20-11-12-6-4-5-7-13(12)16/h4-7H,2-3,8-11H2,1H3 |
| InChIKey |
KHSAMCGRHNXJQM-UHFFFAOYSA-N |
| Molecular Weight |
343.217 g/mol |
| SMILES |
C(CCC(OCC=1C(Br)=CC=CC1)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8753 |
