| SpectraBase Compound ID | G90L3dzC2Bp |
|---|---|
| InChI | InChI=1S/C18H23N3O2/c1-20-9-11-21(12-10-20)8-4-7-19-16-13-17(22)14-5-2-3-6-15(14)18(16)23/h2-3,5-6,13,19H,4,7-12H2,1H3 |
| InChIKey | XVOWQUMVQNCAGK-UHFFFAOYSA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C18H23N3O2 |
| Exact Mass | 313.179027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2qyVoTh0fJi |
|---|---|
| Name | 1,4-Naphthalenedione, 2-((3-(4-methyl-1-piperazinyl)propyl)amino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.179026991 u |
| Formula | C18H23N3O2 |
| InChI | InChI=1S/C18H23N3O2/c1-20-9-11-21(12-10-20)8-4-7-19-16-13-17(22)14-5-2-3-6-15(14)18(16)23/h2-3,5-6,13,19H,4,7-12H2,1H3 |
| InChIKey | XVOWQUMVQNCAGK-UHFFFAOYSA-N |
| SMILES | C1(=CC(C=2C(C1=O)=CC=CC2)=O)NCCCN1CCN(CC1)C |