| SpectraBase Compound ID | GDeXoLayzCj |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-4-19(3)17-15-13-11-9-7-6-8-10-12-14-16-18-20(21)22-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | XTUIETPOMPQEIS-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C20H40O2 |
| Exact Mass | 312.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69POKSh623B |
|---|---|
| Name | Heptadecanoic acid, 15-methyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.302830526 u |
| Formula | C20H40O2 |
| InChI | InChI=1S/C20H40O2/c1-4-19(3)17-15-13-11-9-7-6-8-10-12-14-16-18-20(21)22-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | XTUIETPOMPQEIS-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | C(CCC(OCC)=O)CCCCCCCCCCC(CC)C |