| SpectraBase Compound ID | CS8lHgwsZxJ |
|---|---|
| InChI | InChI=1S/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27(2)25-22-19-20-23-26-28(29)30-3/h24H,4-23,25-26H2,1-3H3/b27-24+ |
| InChIKey | CYNPPGWZUVCDIB-SOYKGTTHSA-N |
| Mol Weight | 422.7 g/mol |
| Molecular Formula | C28H54O2 |
| Exact Mass | 422.412381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yaqeUVsdJs |
|---|---|
| Name | Methyl 8-methyl-8-hexacosenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.412380977 u |
| Formula | C28H54O2 |
| InChI | InChI=1S/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27(2)25-22-19-20-23-26-28(29)30-3/h24H,4-23,25-26H2,1-3H3/b27-24+ |
| InChIKey | CYNPPGWZUVCDIB-SOYKGTTHSA-N |
| Molecular Weight | 422.738 g/mol |
| SMILES | C(=O)(OC)CCCCCC\C(=C\CCCCCCCCCCCCCCCCC)C |