| SpectraBase Spectrum ID |
1Y4nm758Qbh |
| Name |
(2S,6S)-2-(3-Ketoheptyl)-6-methyl-piperidine-1-carboxylic acid benzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.230393859 u |
| Formula |
C21H31NO3 |
| InChI |
InChI=1S/C21H31NO3/c1-3-4-13-20(23)15-14-19-12-8-9-17(2)22(19)21(24)25-16-18-10-6-5-7-11-18/h5-7,10-11,17,19H,3-4,8-9,12-16H2,1-2H3/t17-,19-/m0/s1 |
| InChIKey |
WMMKDNNVSJLNFB-HKUYNNGSSA-N |
| Molecular Weight |
345.483 g/mol |
| SMILES |
C(N1[C@](CCC(=O)CCCC)(CCC[C@@]1(C)[H])[H])(OCC=1C=CC=CC1)=O |
