| SpectraBase Compound ID | EZvAm34EJmq |
|---|---|
| InChI | InChI=1S/C17H19N3O3/c1-11(21)18-14-15(20-9-7-19(2)8-10-20)17(23)13-6-4-3-5-12(13)16(14)22/h3-6H,7-10H2,1-2H3,(H,18,21) |
| InChIKey | IYHGHJZKIQEWQW-UHFFFAOYSA-N |
| Mol Weight | 313.36 g/mol |
| Molecular Formula | C17H19N3O3 |
| Exact Mass | 313.142641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jh3bRzhwrVV |
|---|---|
| Name | 2-Acetamido-3-(4-methylpiperazino)-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.142641481 u |
| Formula | C17H19N3O3 |
| InChI | InChI=1S/C17H19N3O3/c1-11(21)18-14-15(20-9-7-19(2)8-10-20)17(23)13-6-4-3-5-12(13)16(14)22/h3-6H,7-10H2,1-2H3,(H,18,21) |
| InChIKey | IYHGHJZKIQEWQW-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1)C(C(=C(C2=O)NC(=O)C)N1CCN(C)CC1)=O |