| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7yfOHl8uhPC |
|---|---|
| Name | Methyl acetoacetate |
| Alternate Name(s) | 3-Oxobutanoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H8O3 |
| InChI | InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
| InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 116.116 g/mol |
| SMILES | COC(=O)CC(C)=O |
| SPLASH | splash10-0006-9000000000-5b77c5e6794d78c152f1 |
| Source of Spectrum | SRH-2022-2574-0 |
| Wiley ID | 1824930 |