SpectraBase Spectrum ID |
9u8jwlH7J0q |
Name |
Isopropylamine, N-heptafluorobutyryl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.049411022 u |
Formula |
C7H8F7NO |
InChI |
InChI=1S/C7H8F7NO/c1-3(2)15-4(16)5(8,9)6(10,11)7(12,13)14/h3H,1-2H3,(H,15,16) |
InChIKey |
NDGPHZORDHOIBE-UHFFFAOYSA-N |
Molecular Weight |
255.136 g/mol |
SMILES |
C(NC(C)C)(=O)C(C(F)(C(F)(F)F)F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853587 |