| SpectraBase Compound ID | ACWcEBrSlqj |
|---|---|
| InChI | InChI=1S/C14H22O5/c1-6-10(8-9(3)11(15)7-2)12(13(16)18-4)14(17)19-5/h6,9-10,12H,1,7-8H2,2-5H3 |
| InChIKey | RSFKKMVWZZTNLG-UHFFFAOYSA-N |
| Mol Weight | 270.32 g/mol |
| Molecular Formula | C14H22O5 |
| Exact Mass | 270.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XnhlwfUkVO |
|---|---|
| Name | 2-(5-Methyl-6-oxooct-1-en-3-yl)propanedioic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.146723803 u |
| Formula | C14H22O5 |
| InChI | InChI=1S/C14H22O5/c1-6-10(8-9(3)11(15)7-2)12(13(16)18-4)14(17)19-5/h6,9-10,12H,1,7-8H2,2-5H3 |
| InChIKey | RSFKKMVWZZTNLG-UHFFFAOYSA-N |
| SMILES | C(C(CC(C(=O)CC)C)C=C)(C(=O)OC)C(=O)OC |