| SpectraBase Compound ID | DOk8Du3B9HB |
|---|---|
| InChI | InChI=1S/C22H37NO/c1-3-5-7-9-14-18-22(24)23(19-15-10-8-6-4-2)20-21-16-12-11-13-17-21/h11-13,16-17H,3-10,14-15,18-20H2,1-2H3 |
| InChIKey | ZQTPOTJMRPPUPL-UHFFFAOYSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C22H37NO |
| Exact Mass | 331.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CSM10ToVXr |
|---|---|
| Name | Octanamide, N-benzyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.287514814 u |
| Formula | C22H37NO |
| InChI | InChI=1S/C22H37NO/c1-3-5-7-9-14-18-22(24)23(19-15-10-8-6-4-2)20-21-16-12-11-13-17-21/h11-13,16-17H,3-10,14-15,18-20H2,1-2H3 |
| InChIKey | ZQTPOTJMRPPUPL-UHFFFAOYSA-N |
| Molecular Weight | 331.544 g/mol |
| SMILES | C(N(CCCCCCC)CC1=CC=CC=C1)(=O)CCCCCCC |