SpectraBase Spectrum ID |
IvLbYU9fdbg |
Name |
(R)-(+)-3-aminoquinuclidine, N-heptafluorobutyryl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.091610187 u |
Formula |
C11H13F7N2O |
InChI |
InChI=1S/C11H13F7N2O/c12-9(13,10(14,15)11(16,17)18)8(21)19-7-5-20-3-1-6(7)2-4-20/h6-7H,1-5H2,(H,19,21)/t7-/m0/s1 |
InChIKey |
YZSZLXDZBXOIEX-ZETCQYMHSA-N |
Molecular Weight |
322.227 g/mol |
SMILES |
C1N2CCC([C@]1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)[H])CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933499 |