| SpectraBase Spectrum ID |
6Cog7mCD36V |
| Name |
Succinic acid, phenethyl pentafluorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.089049774 u |
| Formula |
C19H15F5O4 |
| InChI |
InChI=1S/C19H15F5O4/c20-15-12(16(21)18(23)19(24)17(15)22)10-28-14(26)7-6-13(25)27-9-8-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChIKey |
AWKWYZBURKPZBL-UHFFFAOYSA-N |
| Molecular Weight |
402.317 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1F)F)COC(CCC(OCCC1=CC=CC=C1)=O)=O)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901761 |
