| SpectraBase Compound ID | 3C3sVor7AMD |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23(25)27-4)20(2)22(24)26-3/h21H,2,5-19H2,1,3-4H3 |
| InChIKey | OIXALRTWFMXMME-UHFFFAOYSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bWXewpvcEX |
|---|---|
| Name | Dimethyl 2-hexadecyl-3-methylene-butanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23(25)27-4)20(2)22(24)26-3/h21H,2,5-19H2,1,3-4H3 |
| InChIKey | OIXALRTWFMXMME-UHFFFAOYSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(CCCCCCCCCCCCC(C(C(OC)=O)=C)C(=O)OC)CCC |