| SpectraBase Spectrum ID |
FsiNaSig4Di |
| Name |
Ethyl (3R*,5R*)-1-butyl-5-allyl-3-methyl-4-oxopiperidine-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.199093730 u |
| Formula |
C16H27NO3 |
| InChI |
InChI=1S/C16H27NO3/c1-5-8-10-17-11-13(9-6-2)14(18)16(4,12-17)15(19)20-7-3/h6,13H,2,5,7-12H2,1,3-4H3/t13-,16-/m1/s1 |
| InChIKey |
FQDXQTMOZKBYJY-CZUORRHYSA-N |
| SMILES |
[C@]1(C([C@@](CN(C1)CCCC)(CC=C)[H])=O)(C(=O)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850889 |
