| SpectraBase Compound ID | IQ21glt0Yq1 |
|---|---|
| InChI | InChI=1S/C25H50O2/c1-4-6-8-16-20-24(21-17-9-7-5-2)22-18-14-12-10-11-13-15-19-23-25(26)27-3/h24H,4-23H2,1-3H3 |
| InChIKey | IIHYUSLGJZWXAW-UHFFFAOYSA-N |
| Mol Weight | 382.7 g/mol |
| Molecular Formula | C25H50O2 |
| Exact Mass | 382.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gOJ6dUiGNX |
|---|---|
| Name | Octadecanoic acid, 12-hexyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.381080848 u |
| Formula | C25H50O2 |
| InChI | InChI=1S/C25H50O2/c1-4-6-8-16-20-24(21-17-9-7-5-2)22-18-14-12-10-11-13-15-19-23-25(26)27-3/h24H,4-23H2,1-3H3 |
| InChIKey | IIHYUSLGJZWXAW-UHFFFAOYSA-N |
| Molecular Weight | 382.673 g/mol |
| SMILES | C(C(CCCCCC)CCCCCC)CCCCCCCCCC(OC)=O |