| SpectraBase Compound ID | 4KkuvLRz9ft |
|---|---|
| InChI | InChI=1S/C16H28O6/c1-11(9-15(18)20-4)10-16-21-12(2)13(22-16)7-5-6-8-14(17)19-3/h11-13,16H,5-10H2,1-4H3 |
| InChIKey | ZKSRSWAPEZNXSR-UHFFFAOYSA-N |
| Mol Weight | 316.39 g/mol |
| Molecular Formula | C16H28O6 |
| Exact Mass | 316.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0W0RJbCiB |
|---|---|
| Name | Myrothecic acid, hexahydro-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.188588616 u |
| Formula | C16H28O6 |
| InChI | InChI=1S/C16H28O6/c1-11(9-15(18)20-4)10-16-21-12(2)13(22-16)7-5-6-8-14(17)19-3/h11-13,16H,5-10H2,1-4H3 |
| InChIKey | ZKSRSWAPEZNXSR-UHFFFAOYSA-N |
| Molecular Weight | 316.394 g/mol |
| SMILES | C(CC1OC(CC(CC(OC)=O)C)OC1C)CCC(OC)=O |