| SpectraBase Compound ID | IOQkMBtG808 |
|---|---|
| InChI | InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
| InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
| Mol Weight | 116.12 g/mol |
| Molecular Formula | C5H8O3 |
| Exact Mass | 116.047344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CB8VPseLcJf |
|---|---|
| Name | Acetoacetic acid, methyl ester |
| CAS Registry Number | 105-45-3 |
| Comments | KETO FORM |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C5H8O3 |
| InChI | InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
| InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
| Literature Reference | E. Barchiesi, S. Bradamante, R. Ferraccioli, J. Chem. Soc. Perkin II 375 (1990). |
| NMR Standard | TMS Ext. |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO |