| SpectraBase Compound ID | GPZ1mg7Iq8x |
|---|---|
| InChI | InChI=1S/C19H22ClN/c1-14(21-13-18-5-2-3-8-19(18)20)11-15-9-10-16-6-4-7-17(16)12-15/h2-3,5,8-10,12,14,21H,4,6-7,11,13H2,1H3 |
| InChIKey | ORRFOEPVCBWCFS-UHFFFAOYSA-N |
| Mol Weight | 299.85 g/mol |
| Molecular Formula | C19H22ClN |
| Exact Mass | 299.144077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7h03w6CUIzk |
|---|---|
| Name | 5-Apdi N-(2-chlorobenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.144077412 u |
| Formula | C19H22ClN |
| InChI | InChI=1S/C19H22ClN/c1-14(21-13-18-5-2-3-8-19(18)20)11-15-9-10-16-6-4-7-17(16)12-15/h2-3,5,8-10,12,14,21H,4,6-7,11,13H2,1H3 |
| InChIKey | ORRFOEPVCBWCFS-UHFFFAOYSA-N |
| SMILES | C=12C(=CC(CC(NCC=3C(=CC=CC3)Cl)C)=CC1)CCC2 |