| SpectraBase Compound ID | CQrElKGdCLI |
|---|---|
| InChI | InChI=1S/C13H12ClNO2/c1-7(2)15-11-10(14)12(16)8-5-3-4-6-9(8)13(11)17/h3-7,15H,1-2H3 |
| InChIKey | ZOFLWMCFCUMANX-UHFFFAOYSA-N |
| Mol Weight | 249.7 g/mol |
| Molecular Formula | C13H12ClNO2 |
| Exact Mass | 249.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jw9I672mbn |
|---|---|
| Name | 2-Chloro-3-(isopropylamino)naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.055656328 u |
| Formula | C13H12ClNO2 |
| InChI | InChI=1S/C13H12ClNO2/c1-7(2)15-11-10(14)12(16)8-5-3-4-6-9(8)13(11)17/h3-7,15H,1-2H3 |
| InChIKey | ZOFLWMCFCUMANX-UHFFFAOYSA-N |
| Molecular Weight | 249.697 g/mol |
| SMILES | C1(C(=C(C(C2=C1C=CC=C2)=O)NC(C)C)Cl)=O |