| SpectraBase Compound ID | 8DNpGAbTYtu |
|---|---|
| InChI | InChI=1S/C31H62O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-31(32)29-27-25-10-8-6-4-2/h3-30H2,1-2H3 |
| InChIKey | FDAMWNSHPQTDNC-UHFFFAOYSA-N |
| Mol Weight | 450.8 g/mol |
| Molecular Formula | C31H62O |
| Exact Mass | 450.480067 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gtA5ZrDejU |
|---|---|
| Name | 9 - Hentriacontanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.480066615 u |
| Formula | C31H62O |
| InChI | InChI=1S/C31H62O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-31(32)29-27-25-10-8-6-4-2/h3-30H2,1-2H3 |
| InChIKey | FDAMWNSHPQTDNC-UHFFFAOYSA-N |
| Molecular Weight | 450.836 g/mol |
| SMILES | C(=O)(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC |