| SpectraBase Compound ID | DUd6VpiKdaz |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(21)22-3/h19H,4-18H2,1-3H3 |
| InChIKey | OVWHQBWRKHEQPM-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C20H40O2 |
| Exact Mass | 312.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4GyAuZ8O5Fy |
|---|---|
| Name | Octadecanoic acid, 2-methyl-, methyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(21)22-3/h19H,4-18H2,1-3H3 |
| InChIKey | OVWHQBWRKHEQPM-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | C(CCCCCCCCCCCCCCC)C(C(OC)=O)C |