| SpectraBase Spectrum ID |
4ehcKY6b7rJ |
| Name |
Ethyl (3R*,4S*,5R*)-1-butyl-4-methoxy-3-methyl-5-phenylpiperidine-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.230393859 u |
| Formula |
C20H31NO3 |
| InChI |
InChI=1S/C20H31NO3/c1-5-7-13-21-14-17(16-11-9-8-10-12-16)18(23-4)20(3,15-21)19(22)24-6-2/h8-12,17-18H,5-7,13-15H2,1-4H3/t17-,18-,20+/m0/s1 |
| InChIKey |
QFEDDBGXDZMHGH-CMKODMSKSA-N |
| Molecular Weight |
333.472 g/mol |
| SMILES |
[C@]1([C@]([C@@](CN(C1)CCCC)(C1=CC=CC=C1)[H])(OC)[H])(C(=O)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857183 |
