| SpectraBase Spectrum ID |
20Zhp82iOCg |
| Name |
2,5-Piperazinedicarboxylic acid, 1,4-dimethyl-3,6-dioxo-2-phenoxy-, diethyl ester, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.142701049 u |
| Formula |
C18H22N2O7 |
| InChI |
InChI=1S/C18H22N2O7/c1-5-25-15(22)13-14(21)20(4)18(16(23)19(13)3,17(24)26-6-2)27-12-10-8-7-9-11-12/h7-11,13H,5-6H2,1-4H3 |
| InChIKey |
GMGNKBKHONBZOS-UHFFFAOYSA-N |
| Molecular Weight |
378.381 g/mol |
| SMILES |
C1(N(C(=O)C(N(C1=O)C)C(=O)OCC)C)(C(=O)OCC)OC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925283 |
