| SpectraBase Compound ID | 85UqHFhiK0W |
|---|---|
| InChI | InChI=1S/C4H3Cl3O2/c5-2(4(8)9)1-3(6)7/h1-2H,(H,8,9) |
| InChIKey | ORKNKNAYYLGVFA-UHFFFAOYSA-N |
| Mol Weight | 189.42 g/mol |
| Molecular Formula | C4H3Cl3O2 |
| Exact Mass | 187.919862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1SvGidN8JZ6 |
|---|---|
| Name | 2,4,4-Trimethyl-3-butenoic acid |
| CAS Registry Number | 80262-08-4 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C4H3Cl3O2 |
| InChI | InChI=1S/C4H3Cl3O2/c5-2(4(8)9)1-3(6)7/h1-2H,(H,8,9) |
| InChIKey | ORKNKNAYYLGVFA-UHFFFAOYSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | W. Kimpenhaus, W. Auf Der Heyde, Liebigs Ann. Chem. 378 (1983). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |