![1,4-Naphthalenedione, 2-chloro-3-[ethyl(phenylmethyl)amino]-](/api/spectrum/IrD3QgbZE59/structure.png?h=300&w=458 "1,4-Naphthalenedione, 2-chloro-3-[ethyl(phenylmethyl)amino]-")
| SpectraBase Compound ID | 6TX4YmOq7sy |
|---|---|
| InChI | InChI=1S/C19H16ClNO2/c1-2-21(12-13-8-4-3-5-9-13)17-16(20)18(22)14-10-6-7-11-15(14)19(17)23/h3-11H,2,12H2,1H3 |
| InChIKey | BTLZWDQILSWMQY-UHFFFAOYSA-N |
| Mol Weight | 325.8 g/mol |
| Molecular Formula | C19H16ClNO2 |
| Exact Mass | 325.086956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IrD3QgbZE59 |
|---|---|
| Name | 1,4-Naphthalenedione, 2-chloro-3-[ethyl(phenylmethyl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.086956457 u |
| Formula | C19H16ClNO2 |
| InChI | InChI=1S/C19H16ClNO2/c1-2-21(12-13-8-4-3-5-9-13)17-16(20)18(22)14-10-6-7-11-15(14)19(17)23/h3-11H,2,12H2,1H3 |
| InChIKey | BTLZWDQILSWMQY-UHFFFAOYSA-N |
| Molecular Weight | 325.795 g/mol |
| SMILES | CCN(CC1=CC=CC=C1)C1=C(Cl)C(=O)C2=CC=CC=C2C1=O |