| SpectraBase Compound ID | EZxJ4nzit6Z |
|---|---|
| InChI | InChI=1S/C20H32ClNO/c1-2-3-4-5-11-17-22(20(23)14-9-10-16-21)18-15-19-12-7-6-8-13-19/h6-8,12-13H,2-5,9-11,14-18H2,1H3 |
| InChIKey | FJJGXYOKUNOPEM-UHFFFAOYSA-N |
| Mol Weight | 337.9 g/mol |
| Molecular Formula | C20H32ClNO |
| Exact Mass | 337.217242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOebmdCi0RP |
|---|---|
| Name | 5-Chlorovaleryl amide, N-(2-phenylethyl)-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.217242353 u |
| Formula | C20H32ClNO |
| InChI | InChI=1S/C20H32ClNO/c1-2-3-4-5-11-17-22(20(23)14-9-10-16-21)18-15-19-12-7-6-8-13-19/h6-8,12-13H,2-5,9-11,14-18H2,1H3 |
| InChIKey | FJJGXYOKUNOPEM-UHFFFAOYSA-N |
| Molecular Weight | 337.935 g/mol |
| SMILES | C1=CC=C(C=C1)CCN(C(CCCCCl)=O)CCCCCCC |