| SpectraBase Spectrum ID |
7leg617BAA3 |
| Name |
3,4-di(Pentafluoropropionyloxy)phenylacetic acid, pentafluoropropionic acid anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
605.979574939 u |
| Formula |
C17H5F15O7 |
| InChI |
InChI=1S/C17H5F15O7/c18-12(19,15(24,25)26)9(34)37-6-2-1-5(3-7(6)38-10(35)13(20,21)16(27,28)29)4-8(33)39-11(36)14(22,23)17(30,31)32/h1-3H,4H2 |
| InChIKey |
GISOFIJDRRMESH-UHFFFAOYSA-N |
| Molecular Weight |
606.196 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)CC(=O)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889819 |
