| SpectraBase Compound ID | Gowlt3VLDqb |
|---|---|
| InChI | InChI=1S/C40H80O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40(41)4-2/h3-39H2,1-2H3 |
| InChIKey | OOVSPWODVXWKBC-UHFFFAOYSA-N |
| Mol Weight | 577.1 g/mol |
| Molecular Formula | C40H80O |
| Exact Mass | 576.620917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BvyStAtBVB |
|---|---|
| Name | 3-Tetracontanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 576.620917195 u |
| Formula | C40H80O |
| InChI | InChI=1S/C40H80O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40(41)4-2/h3-39H2,1-2H3 |
| InChIKey | OOVSPWODVXWKBC-UHFFFAOYSA-N |
| Molecular Weight | 577.079 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(CC)=O |