| SpectraBase Spectrum ID |
A5peDuJ0ZHy |
| Name |
Succinic acid, 2-bromo-5-fluorobenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.021600154 u |
| Formula |
C14H16BrFO4 |
| InChI |
InChI=1S/C14H16BrFO4/c1-2-7-19-13(17)5-6-14(18)20-9-10-8-11(16)3-4-12(10)15/h3-4,8H,2,5-7,9H2,1H3 |
| InChIKey |
IUSPPHDCGKOFMQ-UHFFFAOYSA-N |
| Molecular Weight |
347.180 g/mol |
| SMILES |
C(CCC(OCC=1C(Br)=CC=C(F)C1)=O)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887552 |
