| SpectraBase Compound ID | D8QZapfVdYK |
|---|---|
| InChI | InChI=1S/C34H59NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-31(2)30-34(36)35-32(3)33-28-25-23-26-29-33/h11-12,23,25-26,28-29,31-32H,4-10,13-22,24,27,30H2,1-3H3,(H,35,36)/b12-11-/t31-,32+/m1/s1 |
| InChIKey | NEXPPKRILCSLRJ-RZZZUJIRSA-N |
| Mol Weight | 497.9 g/mol |
| Molecular Formula | C34H59NO |
| Exact Mass | 497.459666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3M7o7JOZ8ar |
|---|---|
| Name | (Z)-(R)-3-Methyl-pentacos-16-enoic acid ((S)-1-phenyl-ethyl)-amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 497.459665523 u |
| Formula | C34H59NO |
| InChI | InChI=1S/C34H59NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-31(2)30-34(36)35-32(3)33-28-25-23-26-29-33/h11-12,23,25-26,28-29,31-32H,4-10,13-22,24,27,30H2,1-3H3,(H,35,36)/b12-11-/t31-,32+/m1/s1 |
| InChIKey | NEXPPKRILCSLRJ-RZZZUJIRSA-N |
| Molecular Weight | 497.852 g/mol |
| SMILES | C(N[C@](C=1C=CC=CC1)(C)[H])(=O)C[C@@](CCCCCCCCCCCC\C=C/CCCCCCCC)(C)[H] |