| SpectraBase Spectrum ID |
HAqKWylZDiK |
| Name |
1-[1-[4-(2-Nitro-1-hydroxyethyl)phenyl]cyclohexyl]piperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.209992767 u |
| Formula |
C19H28N2O3 |
| InChI |
InChI=1S/C19H28N2O3/c22-18(15-21(23)24)16-7-9-17(10-8-16)19(11-3-1-4-12-19)20-13-5-2-6-14-20/h7-10,18,22H,1-6,11-15H2 |
| InChIKey |
LBPIDYKUCWUYDM-UHFFFAOYSA-N |
| Molecular Weight |
332.444 g/mol |
| SMILES |
C(N(=O)=O)C(C=1C=CC(C2(N3CCCCC3)CCCCC2)=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91413 |