| SpectraBase Spectrum ID |
3c6vPANkbA9 |
| Name |
N,N-Diethyl-4-methyl-1-piperazinecarboxamide, citrate (1:1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.195464898 u |
| Formula |
C16H29N3O8 |
| InChI |
InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey |
PGNKBEARDDELNB-UHFFFAOYSA-N |
| Molecular Weight |
391.421 g/mol |
| SMILES |
C1CN(C)CCN1C(=O)N(CC)CC.OC(CC(CC(=O)O)(O)C(=O)O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.976477 |
