| SpectraBase Spectrum ID |
BNYtKC9rZkl |
| Name |
Succinic acid, 3-bromophenethyl propyl 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/c1-2-9-19-14(17)6-7-15(18)20-10-8-12-4-3-5-13(16)11-12/h3-5,11H,2,6-10H2,1H3 |
| InChIKey |
DMPTUAZUIRLFCN-UHFFFAOYSA-N |
| Molecular Weight |
343.217 g/mol |
| SMILES |
C(CCC(OCCC1=CC=CC(=C1)Br)=O)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971221 |
