| SpectraBase Spectrum ID |
1zAPNAIyPbz |
| Name |
Succinic acid, 3-bromobenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.031022023 u |
| Formula |
C14H17BrO4 |
| InChI |
InChI=1S/C14H17BrO4/c1-2-8-18-13(16)6-7-14(17)19-10-11-4-3-5-12(15)9-11/h3-5,9H,2,6-8,10H2,1H3 |
| InChIKey |
DHLPDFNKUSGHCZ-UHFFFAOYSA-N |
| Molecular Weight |
329.190 g/mol |
| SMILES |
C(OC(=O)CCC(OCCC)=O)C1=CC(=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910829 |
