| SpectraBase Compound ID | 19C9rsJR3uh |
|---|---|
| InChI | InChI=1S/C23H45NO/c1-3-22(2)18-14-12-10-8-6-4-5-7-9-11-13-15-19-23(25)24-20-16-17-21-24/h22H,3-21H2,1-2H3 |
| InChIKey | WBHVMJSGMAOEHP-UHFFFAOYSA-N |
| Mol Weight | 351.6 g/mol |
| Molecular Formula | C23H45NO |
| Exact Mass | 351.350115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4DhnnuRK8tY |
|---|---|
| Name | 16-Methyl-octadecanooic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.350115072 u |
| Formula | C23H45NO |
| InChI | InChI=1S/C23H45NO/c1-3-22(2)18-14-12-10-8-6-4-5-7-9-11-13-15-19-23(25)24-20-16-17-21-24/h22H,3-21H2,1-2H3 |
| InChIKey | WBHVMJSGMAOEHP-UHFFFAOYSA-N |
| Molecular Weight | 351.619 g/mol |
| SMILES | C(CCCCCCCCCCC(N1CCCC1)=O)CCCC(CC)C |