| SpectraBase Spectrum ID |
AwHEcC5AcI7 |
| Name |
Propanoic acid, pentafluoro-, 1-[4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)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 |
592.000310384 u |
| Formula |
C17H7F15O6 |
| InChI |
InChI=1S/C17H7F15O6/c18-12(19,15(24,25)26)9(33)36-5-8(38-11(35)14(22,23)17(30,31)32)6-1-3-7(4-2-6)37-10(34)13(20,21)16(27,28)29/h1-4,8H,5H2 |
| InChIKey |
FQCFIPPAHUKPIS-UHFFFAOYSA-N |
| Molecular Weight |
592.213 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OC(=O)C(F)(F)C(F)(F)F)COC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986376 |
![Propanoic acid, pentafluoro-, 1-[4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)phenyl]-1,2-ethanediyl ester](/api/spectrum/AwHEcC5AcI7/structure.png?h=300&w=458 "Propanoic acid, pentafluoro-, 1-[4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)phenyl]-1,2-ethanediyl ester")
