| SpectraBase Compound ID | FoJJqHgas6h |
|---|---|
| InChI | InChI=1S/C26H27ClN2/c27-25-15-13-24(14-16-25)26(23-11-5-2-6-12-23)29-20-18-28(19-21-29)17-7-10-22-8-3-1-4-9-22/h1-16,26H,17-21H2/b10-7+ |
| InChIKey | ZSQANMZWGKYDER-JXMROGBWSA-N |
| Mol Weight | 402.97 g/mol |
| Molecular Formula | C26H27ClN2 |
| Exact Mass | 402.186277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9b1NMUdVni9 |
|---|---|
| Name | Clocinizine in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.186276577 u |
| Formula | C26H27ClN2 |
| InChI | InChI=1S/C26H27ClN2/c27-25-15-13-24(14-16-25)26(23-11-5-2-6-12-23)29-20-18-28(19-21-29)17-7-10-22-8-3-1-4-9-22/h1-16,26H,17-21H2/b10-7+ |
| InChIKey | ZSQANMZWGKYDER-JXMROGBWSA-N |
| Molecular Weight | 402.969 g/mol |
| SMILES | C=1C=CC=C(C1)C(C=1C=CC(=CC1)Cl)N1CCN(C\C=C\C=2C=CC=CC2)CC1 |