| SpectraBase Spectrum ID |
CUpd3h5lYQg |
| Name |
Cyclohexanecarboxylic acid, [9-(4-fluorobenzyl)-9-azabicyclo[3.3.1]non-3-yl]amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.242041788 u |
| Formula |
C22H31FN2O |
| InChI |
InChI=1S/C22H31FN2O/c23-18-11-9-16(10-12-18)15-25-20-7-4-8-21(25)14-19(13-20)24-22(26)17-5-2-1-3-6-17/h9-12,17,19-21H,1-8,13-15H2,(H,24,26)/t19?,20-,21+ |
| InChIKey |
NXFIRVQDSWIXOY-SEJPIABJSA-N |
| Molecular Weight |
358.501 g/mol |
| SMILES |
[C@@]12(N([C@@](CC(C2)NC(C2CCCCC2)=O)(CCC1)[H])CC1=CC=C(C=C1)F)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885714 |
![Cyclohexanecarboxylic acid, [9-(4-fluorobenzyl)-9-azabicyclo[3.3.1]non-3-yl]amide](/api/spectrum/CUpd3h5lYQg/structure.png?h=300&w=458 "Cyclohexanecarboxylic acid, [9-(4-fluorobenzyl)-9-azabicyclo[3.3.1]non-3-yl]amide")
