| SpectraBase Compound ID | DOJosbNcPet |
|---|---|
| InChI | InChI=1S/C30H53N3O2/c1-5-7-9-11-13-18-22-33(23-19-14-12-10-8-6-2)30(35)27(24-26-20-16-15-17-21-26)32-29(34)28(31)25(3)4/h15-17,20-21,25,27-28H,5-14,18-19,22-24,31H2,1-4H3,(H,32,34)/t27-,28-/m0/s1 |
| InChIKey | BWUXPFVHNAFUFP-NSOVKSMOSA-N |
| Mol Weight | 487.8 g/mol |
| Molecular Formula | C30H53N3O2 |
| Exact Mass | 487.413778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8YaSbLQE4D8 |
|---|---|
| Name | 2(S)-Amino-3-methyl-N-(1-dioctylcarbamoyl-2(S)-phenyl-ethyl)-butyramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 487.413777957 u |
| Formula | C30H53N3O2 |
| InChI | InChI=1S/C30H53N3O2/c1-5-7-9-11-13-18-22-33(23-19-14-12-10-8-6-2)30(35)27(24-26-20-16-15-17-21-26)32-29(34)28(31)25(3)4/h15-17,20-21,25,27-28H,5-14,18-19,22-24,31H2,1-4H3,(H,32,34)/t27-,28-/m0/s1 |
| InChIKey | BWUXPFVHNAFUFP-NSOVKSMOSA-N |
| Molecular Weight | 487.773 g/mol |
| SMILES | [C@](NC([C@@](N)(C(C)C)[H])=O)(C(=O)N(CCCCCCCC)CCCCCCCC)(CC1=CC=CC=C1)[H] |