| SpectraBase Spectrum ID |
GBPrfTPRHRG |
| Name |
2-[bis(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]phenyl heptafluorobutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
696.980499032 u |
| Formula |
C18H4F21NO4 |
| InChI |
InChI=1S/C18H4F21NO4/c19-10(20,13(25,26)16(31,32)33)7(41)40(8(42)11(21,22)14(27,28)17(34,35)36)5-3-1-2-4-6(5)44-9(43)12(23,24)15(29,30)18(37,38)39/h1-4H |
| InChIKey |
YGJQDGTZSXQRCE-UHFFFAOYSA-N |
| Molecular Weight |
697.199 g/mol |
| SMILES |
C1(=C(C=CC=C1)N(C(C(F)(C(F)(C(F)(F)F)F)F)=O)C(C(F)(C(C(F)(F)F)(F)F)F)=O)OC(C(C(F)(C(F)(F)F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892493 |
![2-[bis(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]phenyl heptafluorobutanoate](/api/spectrum/GBPrfTPRHRG/structure.png?h=300&w=458 "2-[bis(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]phenyl heptafluorobutanoate")
