| SpectraBase Spectrum ID |
9VVIh2IIVr7 |
| Name |
Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.102648979 u |
| Formula |
C22H18F8O5 |
| InChI |
InChI=1S/C22H18F8O5/c23-19(24)21(27,28)22(29,30)20(25,26)13-34-18(32)10-9-17(31)33-12-14-5-4-8-16(11-14)35-15-6-2-1-3-7-15/h1-8,11,19H,9-10,12-13H2 |
| InChIKey |
VIXUWGTXQDJDHA-UHFFFAOYSA-N |
| Molecular Weight |
514.368 g/mol |
| SMILES |
C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC1=CC(OC2=CC=CC=C2)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806983 |
