SpectraBase Spectrum ID |
B0uYqywBmyR |
Name |
[(1R,2S)-(2-Trifluoromethyl-1-phenyl)cyclopropyl]methylamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
215.092183879 u |
Formula |
C11H12F3N |
InChI |
InChI=1S/C11H12F3N/c12-11(13,14)9-6-10(9,7-15)8-4-2-1-3-5-8/h1-5,9H,6-7,15H2/t9-,10-/m0/s1 |
InChIKey |
GGIGCBFURJWXDF-UWVGGRQHSA-N |
Molecular Weight |
215.219 g/mol |
SMILES |
[C@@]1([C@@](C(F)(F)F)(C1)[H])(C=1C=CC=CC1)CN |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873885 |