| SpectraBase Compound ID | 7FgyBSh88WC |
|---|---|
| InChI | InChI=1S/C32H64O/c1-6-8-9-10-11-12-13-14-15-16-22-30(4)23-17-19-27-32(33)28-20-18-24-31(5)26-21-25-29(3)7-2/h29-31H,6-28H2,1-5H3 |
| InChIKey | KAGYZQBIUVFXLU-UHFFFAOYSA-N |
| Mol Weight | 464.9 g/mol |
| Molecular Formula | C32H64O |
| Exact Mass | 464.495717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4GypupADhe |
|---|---|
| Name | 3,7,17-Trimethyl-12-nonacosanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.495716680 u |
| Formula | C32H64O |
| InChI | InChI=1S/C32H64O/c1-6-8-9-10-11-12-13-14-15-16-22-30(4)23-17-19-27-32(33)28-20-18-24-31(5)26-21-25-29(3)7-2/h29-31H,6-28H2,1-5H3 |
| InChIKey | KAGYZQBIUVFXLU-UHFFFAOYSA-N |
| Molecular Weight | 464.863 g/mol |
| SMILES | CCC(CCCC(CCCCC(CCCCC(CCCCCCCCCCCC)C)=O)C)C |