| SpectraBase Compound ID | 4SDsBo1f0Jh |
|---|---|
| InChI | InChI=1S/C12H16ClNO/c1-9(2)14(10(3)15)8-11-6-4-5-7-12(11)13/h4-7,9H,8H2,1-3H3 |
| InChIKey | PRLMXISAMJQGDS-UHFFFAOYSA-N |
| Mol Weight | 225.72 g/mol |
| Molecular Formula | C12H16ClNO |
| Exact Mass | 225.092042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EeGNexVYM1J |
|---|---|
| Name | N-(2-Chlorobenzyl)-2-propanamine, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.092041838 u |
| Formula | C12H16ClNO |
| InChI | InChI=1S/C12H16ClNO/c1-9(2)14(10(3)15)8-11-6-4-5-7-12(11)13/h4-7,9H,8H2,1-3H3 |
| InChIKey | PRLMXISAMJQGDS-UHFFFAOYSA-N |
| Molecular Weight | 225.719 g/mol |
| SMILES | C1(Cl)=C(C=CC=C1)CN(C(C)C)C(C)=O |