| SpectraBase Compound ID | KbknZB8IMTV |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)22-20(2,3)4/h5-18H2,1-4H3 |
| InChIKey | QESUPNPIYGFLCJ-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 | HtunxLQTPRi |
|---|---|
| Name | Hexadecanoic acid, 1,1-dimethylethyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)22-20(2,3)4/h5-18H2,1-4H3 |
| InChIKey | QESUPNPIYGFLCJ-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | C(=O)(CCCCCCCCCCCCCCC)OC(C)(C)C |