| SpectraBase Spectrum ID |
K2coJh5njmT |
| Name |
Succinic acid, 3-bromophenethyl ethyl 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/c1-2-18-13(16)6-7-14(17)19-9-8-11-4-3-5-12(15)10-11/h3-5,10H,2,6-9H2,1H3 |
| InChIKey |
QTPDLOVYHZVNDQ-UHFFFAOYSA-N |
| Molecular Weight |
329.190 g/mol |
| SMILES |
C(CCC(OCCC1=CC=CC(=C1)Br)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929638 |
