SpectraBase Spectrum ID |
GauTYoGsQXD |
Name |
Succinic acid, 4-fluorophenethyl propyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
282.126737251 u |
Formula |
C15H19FO4 |
InChI |
InChI=1S/C15H19FO4/c1-2-10-19-14(17)7-8-15(18)20-11-9-12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3 |
InChIKey |
ZFWUSCGAKOLVDP-UHFFFAOYSA-N |
Molecular Weight |
282.311 g/mol |
SMILES |
C(CCC(OCCC1=CC=C(C=C1)F)=O)(OCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920628 |