| SpectraBase Compound ID | H5gOsw0JC8A |
|---|---|
| InChI | InChI=1S/C16H18ClNO2/c1-3-9-18(10-4-2)14-13(17)15(19)11-7-5-6-8-12(11)16(14)20/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | PYFNEQIZKKMPEH-UHFFFAOYSA-N |
| Mol Weight | 291.78 g/mol |
| Molecular Formula | C16H18ClNO2 |
| Exact Mass | 291.102607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jo4Q6FPAbWc |
|---|---|
| Name | 1,4-Naphthalenedione, 2-chloro-3-(dipropylamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.102606522 u |
| Formula | C16H18ClNO2 |
| InChI | InChI=1S/C16H18ClNO2/c1-3-9-18(10-4-2)14-13(17)15(19)11-7-5-6-8-12(11)16(14)20/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | PYFNEQIZKKMPEH-UHFFFAOYSA-N |
| SMILES | CCCN(CCC)C1=C(Cl)C(=O)C2=CC=CC=C2C1=O |