SpectraBase Spectrum ID |
2GCeEt3ldBF |
Name |
Succinic acid, 2-fluorophenyl 2,2,3,4,4,4-hexafluorobutyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
376.054555971 u |
Formula |
C14H11F7O4 |
InChI |
InChI=1S/C14H11F7O4/c15-8-3-1-2-4-9(8)25-11(23)6-5-10(22)24-7-13(17,18)12(16)14(19,20)21/h1-4,12H,5-7H2 |
InChIKey |
HVVQJZUQJXCHIM-UHFFFAOYSA-N |
Molecular Weight |
376.227 g/mol |
SMILES |
C(CC(OC1=CC=CC=C1F)=O)C(OCC(C(C(F)(F)F)F)(F)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918399 |