| SpectraBase Compound ID | HXFHuTjvN4V |
|---|---|
| InChI | InChI=1S/C21H34ClNO/c1-2-3-4-5-6-12-18-23(21(24)15-10-11-17-22)19-16-20-13-8-7-9-14-20/h7-9,13-14H,2-6,10-12,15-19H2,1H3 |
| InChIKey | XTWDSOVONZPUAO-UHFFFAOYSA-N |
| Mol Weight | 352.0 g/mol |
| Molecular Formula | C21H34ClNO |
| Exact Mass | 351.232892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | vIqNCUKv7j |
|---|---|
| Name | 5-Chlorovaleryl amide, N-(2-phenylethyl)-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.232892418 u |
| Formula | C21H34ClNO |
| InChI | InChI=1S/C21H34ClNO/c1-2-3-4-5-6-12-18-23(21(24)15-10-11-17-22)19-16-20-13-8-7-9-14-20/h7-9,13-14H,2-6,10-12,15-19H2,1H3 |
| InChIKey | XTWDSOVONZPUAO-UHFFFAOYSA-N |
| Molecular Weight | 351.962 g/mol |
| SMILES | C1=CC=C(C=C1)CCN(C(CCCCCl)=O)CCCCCCCC |