| SpectraBase Compound ID | 82YX1FeP3fm |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey | OQAGVSWESNCJJT-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 | 3xLt8Lt3zC4 |
|---|---|
| Name | Isovaleric acid, methyl ester |
| CAS Registry Number | 556-24-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey | OQAGVSWESNCJJT-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 |