| SpectraBase Compound ID | BZtfnnDmv1B |
|---|---|
| InChI | InChI=1S/C27H47NO/c1-3-5-7-9-10-11-12-13-15-20-24-28(25-26-21-17-16-18-22-26)27(29)23-19-14-8-6-4-2/h16-18,21-22H,3-15,19-20,23-25H2,1-2H3 |
| InChIKey | FWAIROKPPNBDIE-UHFFFAOYSA-N |
| Mol Weight | 401.7 g/mol |
| Molecular Formula | C27H47NO |
| Exact Mass | 401.365765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Je4FCLa9H8P |
|---|---|
| Name | Octanamide, N-benzyl-N-dodecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.365765136 u |
| Formula | C27H47NO |
| InChI | InChI=1S/C27H47NO/c1-3-5-7-9-10-11-12-13-15-20-24-28(25-26-21-17-16-18-22-26)27(29)23-19-14-8-6-4-2/h16-18,21-22H,3-15,19-20,23-25H2,1-2H3 |
| InChIKey | FWAIROKPPNBDIE-UHFFFAOYSA-N |
| Molecular Weight | 401.679 g/mol |
| SMILES | C(N(CCCCCCCCCCCC)CC1=CC=CC=C1)(=O)CCCCCCC |