| SpectraBase Compound ID | AwrYpeUGK4H |
|---|---|
| InChI | InChI=1S/C19H38O3/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(20)19(21)22-3/h17-18,20H,4-16H2,1-3H3 |
| InChIKey | LQQSDKLQWLZECG-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C19H38O3 |
| Exact Mass | 314.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGRLOFW5hP3 |
|---|---|
| Name | Methyl 2-hydroxy-16-methyl-heptadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.282095081 u |
| Formula | C19H38O3 |
| InChI | InChI=1S/C19H38O3/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(20)19(21)22-3/h17-18,20H,4-16H2,1-3H3 |
| InChIKey | LQQSDKLQWLZECG-UHFFFAOYSA-N |
| Molecular Weight | 314.510 g/mol |
| SMILES | C(CCCCCCCCCC(C(=O)OC)O)CCCC(C)C |