| SpectraBase Spectrum ID |
9gVW8P7mmER |
| Name |
Propanoic acid, pentafluoro-, 1-phenyl-1,2-ethanediyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.026290364 u |
| Formula |
C14H8F10O4 |
| InChI |
InChI=1S/C14H8F10O4/c15-11(16,13(19,20)21)9(25)27-6-8(7-4-2-1-3-5-7)28-10(26)12(17,18)14(22,23)24/h1-5,8H,6H2 |
| InChIKey |
RDPUGQNOTAYRPE-UHFFFAOYSA-N |
| Molecular Weight |
430.198 g/mol |
| SMILES |
C(OC(C(C(F)(F)F)(F)F)=O)(COC(C(C(F)(F)F)(F)F)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846728 |
