SpectraBase Compound ID | LMcJonduA4 |
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InChI | InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) |
InChIKey | KQNPFQTWMSNSAP-UHFFFAOYSA-N |
Mol Weight | 88.11 g/mol |
Molecular Formula | C4H8O2 |
Exact Mass | 88.052429 g/mol |
SpectraBase Spectrum ID | JWhmkhRu9RT |
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Name | Isobutanoic acid |
CAS Registry Number | 79-31-2 |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C4H8O2 |
InChI | InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) |
InChIKey | KQNPFQTWMSNSAP-UHFFFAOYSA-N |
Instrument Name | Jeol FX-90 |
Literature Reference | Y. Takeuchi, S. Tomoda, N. Kakimoto, Magn. Res. Chem. 23, 140 (1985). |
NMR Standard | TMS |
Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
Solvent | CDCl3 |