| SpectraBase Compound ID | CkBSWAiiJAX |
|---|---|
| InChI | InChI=1S/C17H12ClNO2/c1-10-6-8-11(9-7-10)19-15-14(18)16(20)12-4-2-3-5-13(12)17(15)21/h2-9,19H,1H3 |
| InChIKey | RFTKKJMESXPXLC-UHFFFAOYSA-N |
| Mol Weight | 297.74 g/mol |
| Molecular Formula | C17H12ClNO2 |
| Exact Mass | 297.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3b91aHZSEV |
|---|---|
| Name | 2-Chloro-3-(p-toluidino)-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.055656328 u |
| Formula | C17H12ClNO2 |
| InChI | InChI=1S/C17H12ClNO2/c1-10-6-8-11(9-7-10)19-15-14(18)16(20)12-4-2-3-5-13(12)17(15)21/h2-9,19H,1H3 |
| InChIKey | RFTKKJMESXPXLC-UHFFFAOYSA-N |
| SMILES | N(C=1C(C=2C=CC=CC2C(C1Cl)=O)=O)C=1C=CC(=CC1)C |