| SpectraBase Compound ID | C8g5zff8kMp |
|---|---|
| InChI | InChI=1S/C17H24O6/c1-5-8-9-12-17(15(19)22-6-2,16(20)23-7-3)13-10-11-14(18)21-4/h10-11H,5-7,12-13H2,1-4H3/b11-10+ |
| InChIKey | XLHKMTWXVUEIAE-ZHACJKMWSA-N |
| Mol Weight | 324.37 g/mol |
| Molecular Formula | C17H24O6 |
| Exact Mass | 324.157288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6iNwTOK9JVh |
|---|---|
| Name | 4,4-Diethyl 1-methyl non-1-en-6-yne-1,4,4-tricarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.157288487 u |
| Formula | C17H24O6 |
| InChI | InChI=1S/C17H24O6/c1-5-8-9-12-17(15(19)22-6-2,16(20)23-7-3)13-10-11-14(18)21-4/h10-11H,5-7,12-13H2,1-4H3/b11-10+ |
| InChIKey | XLHKMTWXVUEIAE-ZHACJKMWSA-N |
| Molecular Weight | 324.373 g/mol |
| SMILES | C(C(OCC)=O)(C\C=C\C(OC)=O)(C(OCC)=O)CC#CCC |