| SpectraBase Compound ID | 3qeQwlrqxVW |
|---|---|
| InChI | InChI=1S/C16H16ClNO2/c17-13-14(18-10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h4-5,8-10,18H,1-3,6-7H2 |
| InChIKey | AVJLACWTIMBBBX-UHFFFAOYSA-N |
| Mol Weight | 289.76 g/mol |
| Molecular Formula | C16H16ClNO2 |
| Exact Mass | 289.086956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3N7zUCsIPC |
|---|---|
| Name | 2-Chloro-3-(cyclohexylamino)naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.086956457 u |
| Formula | C16H16ClNO2 |
| InChI | InChI=1S/C16H16ClNO2/c17-13-14(18-10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h4-5,8-10,18H,1-3,6-7H2 |
| InChIKey | AVJLACWTIMBBBX-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(C(=O)C2=C(C1=O)C=CC=C2)NC1CCCCC1 |