| SpectraBase Compound ID | 56R0awxOqN2 |
|---|---|
| InChI | InChI=1S/C30H60O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28(2)26-23-20-18-21-24-27-29(3)30(31)32/h28-29H,4-27H2,1-3H3,(H,31,32) |
| InChIKey | AYMLNRRLOWTSPF-UHFFFAOYSA-N |
| Mol Weight | 452.8 g/mol |
| Molecular Formula | C30H60O2 |
| Exact Mass | 452.459331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DThbbsJa8sn |
|---|---|
| Name | 2,10-Dimethyloctacosanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.459331170 u |
| Formula | C30H60O2 |
| InChI | InChI=1S/C30H60O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28(2)26-23-20-18-21-24-27-29(3)30(31)32/h28-29H,4-27H2,1-3H3,(H,31,32) |
| InChIKey | AYMLNRRLOWTSPF-UHFFFAOYSA-N |
| Molecular Weight | 452.808 g/mol |
| SMILES | C(=O)(C(CCCCCCCC(CCCCCCCCCCCCCCCCCC)C)C)O |