| SpectraBase Compound ID | 2vZvnuqFX15 |
|---|---|
| InChI | InChI=1S/C13H16N2O3/c1-18-11-4-2-10(3-5-11)12(16)13(17)15-8-6-14-7-9-15/h2-5,14H,6-9H2,1H3 |
| InChIKey | LBHWTXQUHBWVNU-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C13H16N2O3 |
| Exact Mass | 248.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4fG8miLiaGi |
|---|---|
| Name | 1-(4-Methoxyphenyl)-2-(piperazin-1-yl)ethane-1,2-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.116092380 u |
| Formula | C13H16N2O3 |
| InChI | InChI=1S/C13H16N2O3/c1-18-11-4-2-10(3-5-11)12(16)13(17)15-8-6-14-7-9-15/h2-5,14H,6-9H2,1H3 |
| InChIKey | LBHWTXQUHBWVNU-UHFFFAOYSA-N |
| Molecular Weight | 248.282 g/mol |
| SMILES | C1NCCN(C1)C(=O)C(=O)C1=CC=C(C=C1)OC |