| SpectraBase Spectrum ID |
CFvpjUbjUY4 |
| Name |
(3S)-1-Propyl-3-(3-propylphenyl)piperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.214349873 u |
| Formula |
C17H27N |
| InChI |
InChI=1S/C17H27N/c1-3-7-15-8-5-9-16(13-15)17-10-6-12-18(14-17)11-4-2/h5,8-9,13,17H,3-4,6-7,10-12,14H2,1-2H3/t17-/m1/s1 |
| InChIKey |
SXCBTZZPBYWDRW-QGZVFWFLSA-N |
| Molecular Weight |
245.410 g/mol |
| SMILES |
C1N(CCC[C@]1(C=1C=C(CCC)C=CC1)[H])CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930895 |
