| SpectraBase Compound ID | 91MLpY6G6XF |
|---|---|
| InChI | InChI=1S/C14H20ClNO/c1-3-10-16(14(17)12(2)15)11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3 |
| InChIKey | XICNNLMGWDYBFA-UHFFFAOYSA-N |
| Mol Weight | 253.77 g/mol |
| Molecular Formula | C14H20ClNO |
| Exact Mass | 253.123342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCv89mLRArs |
|---|---|
| Name | 2-Chloropropanoyl amide, N-(2-phenylethyl)-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.123341967 u |
| Formula | C14H20ClNO |
| InChI | InChI=1S/C14H20ClNO/c1-3-10-16(14(17)12(2)15)11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3 |
| InChIKey | XICNNLMGWDYBFA-UHFFFAOYSA-N |
| Molecular Weight | 253.773 g/mol |
| SMILES | CC(Cl)C(=O)N(CCC)CCC1=CC=CC=C1 |