| SpectraBase Compound ID | 8ttSB7YU4B5 |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-11(7-5-9-13(15)17-3)12(2)8-6-10-14(16)18-4/h5-10H2,1-4H3/b12-11+ |
| InChIKey | FTJACWNMEJONNG-VAWYXSNFSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C14H24O4 |
| Exact Mass | 256.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5FIMsR9BF5r |
|---|---|
| Name | 5-Decenedioic acid, 5,6-dimethyl-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.167459249 u |
| Formula | C14H24O4 |
| InChI | InChI=1S/C14H24O4/c1-11(7-5-9-13(15)17-3)12(2)8-6-10-14(16)18-4/h5-10H2,1-4H3/b12-11+ |
| InChIKey | FTJACWNMEJONNG-VAWYXSNFSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | COC(CCC\C(=C\(CCCC(OC)=O)C)C)=O |