| SpectraBase Compound ID | AeiCaBrjcSD |
|---|---|
| InChI | InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h4H,1-3H3/b5-4- |
| InChIKey | WQEXBUQDXKPVHR-PLNGDYQASA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C7H10O4 |
| Exact Mass | 158.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cDKEaI0qyW |
|---|---|
| Name | CITRACONIC ACID, DIMETHYL ESTER |
| Source of Sample | T. Anthonsen, S. Hagen Phytochem. 19, 2375(1980) |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H10O4 |
| InChI | InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h4H,1-3H3/b5-4- |
| InChIKey | WQEXBUQDXKPVHR-PLNGDYQASA-N |
| Molecular Weight | 158.16 |
| Solvent | Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100 |