| SpectraBase Spectrum ID |
B3KFdwnQQRR |
| Name |
Succinic acid, phenethyl 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.111087186 u |
| Formula |
C18H17FO4 |
| InChI |
InChI=1S/C18H17FO4/c19-15-7-4-8-16(13-15)23-18(21)10-9-17(20)22-12-11-14-5-2-1-3-6-14/h1-8,13H,9-12H2 |
| InChIKey |
LXIKUPAQABPHSL-UHFFFAOYSA-N |
| Molecular Weight |
316.328 g/mol |
| SMILES |
C1=CC=C(C=C1F)OC(CCC(OCCC1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841676 |
