SpectraBase Spectrum ID |
EHC2cVZBBpI |
Name |
Heptafluorobutyramide, N-(2-pentyl)-N-ethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
311.112011279 u |
Formula |
C11H16F7NO |
InChI |
InChI=1S/C11H16F7NO/c1-4-6-7(3)19(5-2)8(20)9(12,13)10(14,15)11(16,17)18/h7H,4-6H2,1-3H3 |
InChIKey |
JPHWFKBABCQMNJ-UHFFFAOYSA-N |
Molecular Weight |
311.244 g/mol |
SMILES |
C(N(C(CCC)C)C(=O)C(C(C(F)(F)F)(F)F)(F)F)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810058 |