| SpectraBase Spectrum ID |
AjijR6W2Z4E |
| Name |
3-Piperidinecarboxylic acid, 1,3-dimethyl-4-[(phenylmethyl)amino]-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.199428083 u |
| Formula |
C17H26N2O2 |
| InChI |
InChI=1S/C17H26N2O2/c1-4-21-16(20)17(2)13-19(3)11-10-15(17)18-12-14-8-6-5-7-9-14/h5-9,15,18H,4,10-13H2,1-3H3 |
| InChIKey |
KXDGTOQZPPRUSW-UHFFFAOYSA-N |
| SMILES |
CC1(CN(CCC1NCC1=CC=CC=C1)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938196 |
![3-Piperidinecarboxylic acid, 1,3-dimethyl-4-[(phenylmethyl)amino]-, ethyl ester](/api/spectrum/AjijR6W2Z4E/structure.png?h=300&w=458 "3-Piperidinecarboxylic acid, 1,3-dimethyl-4-[(phenylmethyl)amino]-, ethyl ester")
