| SpectraBase Spectrum ID |
CEhJUpdYAps |
| Name |
1-Benzoylpiperidine-2,2-dicarboxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.157622840 u |
| Formula |
C18H23NO5 |
| InChI |
InChI=1S/C18H23NO5/c1-3-23-16(21)18(17(22)24-4-2)12-8-9-13-19(18)15(20)14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3 |
| InChIKey |
PXLZQMWFRQWQKK-UHFFFAOYSA-N |
| Molecular Weight |
333.384 g/mol |
| SMILES |
C1(N(CCCC1)C(=O)C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884312 |
