| SpectraBase Compound ID | 56ls67mxVaN |
|---|---|
| InChI | InChI=1S/C14H22O6/c1-5-12(20-11(3)15)10(2)7-6-8-19-14(17)9-13(16)18-4/h7,12H,5-6,8-9H2,1-4H3/b10-7+ |
| InChIKey | NWLQEQFOZQJBHP-JXMROGBWSA-N |
| Mol Weight | 286.32 g/mol |
| Molecular Formula | C14H22O6 |
| Exact Mass | 286.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjSrxy0s0Tm |
|---|---|
| Name | 1-(3'-Methoxy-3'-oxopropionyloxy)-5-acetoxy-4-methyl-3-heptene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.141638422 u |
| Formula | C14H22O6 |
| InChI | InChI=1S/C14H22O6/c1-5-12(20-11(3)15)10(2)7-6-8-19-14(17)9-13(16)18-4/h7,12H,5-6,8-9H2,1-4H3/b10-7+ |
| InChIKey | NWLQEQFOZQJBHP-JXMROGBWSA-N |
| SMILES | C(C(=O)OC)C(=O)OCC\C=C\(C(OC(=O)C)CC)C |