| SpectraBase Compound ID | 9Rkqw3PW0B5 |
|---|---|
| InChI | InChI=1S/C18H36O/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)16-14-17-19/h17-18H,3-16H2,1-2H3 |
| InChIKey | VGHIYUIMVFXEDC-UHFFFAOYSA-N |
| Mol Weight | 268.5 g/mol |
| Molecular Formula | C18H36O |
| Exact Mass | 268.276616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AtYXjKn7ixS |
|---|---|
| Name | 4-Methyl-heptadecanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.276615778 u |
| Formula | C18H36O |
| InChI | InChI=1S/C18H36O/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)16-14-17-19/h17-18H,3-16H2,1-2H3 |
| InChIKey | VGHIYUIMVFXEDC-UHFFFAOYSA-N |
| Molecular Weight | 268.485 g/mol |
| SMILES | C(CCC(CCCCCCCCCCCCC)C)=O |