| SpectraBase Spectrum ID |
6895QL97Uty |
| Name |
2,6-Diethylaniline, N,N-bis(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
541.072272943 u |
| Formula |
C18H13F14NO2 |
| InChI |
InChI=1S/C18H13F14NO2/c1-3-8-6-5-7-9(4-2)10(8)33(11(34)13(19,20)15(23,24)17(27,28)29)12(35)14(21,22)16(25,26)18(30,31)32/h5-7H,3-4H2,1-2H3 |
| InChIKey |
AHSOGZIEBHGWPL-UHFFFAOYSA-N |
| Molecular Weight |
541.285 g/mol |
| SMILES |
C1=C(C(=C(C=C1)CC)N(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915811 |
