| SpectraBase Compound ID | 3S3KI0fSSZB |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-3-5-7-8-12-16-21(23)22(18-13-6-4-2)19-17-20-14-10-9-11-15-20/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3 |
| InChIKey | JDKPZOQJMDCIGU-UHFFFAOYSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9b0vkta8wGA |
|---|---|
| Name | Capryloylamide, N-(2-phenylethyl)-N-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.271864750 u |
| Formula | C21H35NO |
| InChI | InChI=1S/C21H35NO/c1-3-5-7-8-12-16-21(23)22(18-13-6-4-2)19-17-20-14-10-9-11-15-20/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3 |
| InChIKey | JDKPZOQJMDCIGU-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C1=CC=CC(=C1)CCN(C(=O)CCCCCCC)CCCCC |