| SpectraBase Compound ID | 4iNkJEpEURa |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3 |
| InChIKey | CNMFHDIDIMZHKY-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kfFef1rpIe |
|---|---|
| Name | 2,2-Dimethyl-propanoic acid, methyl ester |
| CAS Registry Number | 598-98-1 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3 |
| InChIKey | CNMFHDIDIMZHKY-UHFFFAOYSA-N |
| Instrument Name | SF = 060 MHz |
| Literature Reference | Helv. Chim. Acta 63, 498 (1980). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Neat liquid |