SpectraBase Spectrum ID |
K6xMKX75YgB |
Name |
Cyclobutylamine, N-heptafluorobutyryl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
267.049411022 u |
Formula |
C8H8F7NO |
InChI |
InChI=1S/C8H8F7NO/c9-6(10,7(11,12)8(13,14)15)5(17)16-4-2-1-3-4/h4H,1-3H2,(H,16,17) |
InChIKey |
SNCHIJRAHWEJBH-UHFFFAOYSA-N |
Molecular Weight |
267.147 g/mol |
SMILES |
C1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815089 |