| SpectraBase Compound ID | 8GfWaM1Zd1G |
|---|---|
| InChI | InChI=1S/C21H44N2O/c1-5-7-9-11-13-15-17-23(21(24)20(22)19(3)4)18-16-14-12-10-8-6-2/h19-20H,5-18,22H2,1-4H3/t20-/m0/s1 |
| InChIKey | VCHQKQNPHZNOJF-FQEVSTJZSA-N |
| Mol Weight | 340.6 g/mol |
| Molecular Formula | C21H44N2O |
| Exact Mass | 340.345364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | MdwztR41Ls |
|---|---|
| Name | 2(S)-Amino-3-methyl-N,N-dioctylbutyramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.345364044 u |
| Formula | C21H44N2O |
| InChI | InChI=1S/C21H44N2O/c1-5-7-9-11-13-15-17-23(21(24)20(22)19(3)4)18-16-14-12-10-8-6-2/h19-20H,5-18,22H2,1-4H3/t20-/m0/s1 |
| InChIKey | VCHQKQNPHZNOJF-FQEVSTJZSA-N |
| Molecular Weight | 340.596 g/mol |
| SMILES | CC(C)[C@](N)(C(N(CCCCCCCC)CCCCCCCC)=O)[H] |