| SpectraBase Compound ID | ISNrXWicldJ |
|---|---|
| InChI | InChI=1S/2C5H8O3/c2*1-4(6)3-5(7)8-2/h3H2,1-2H3;3,6H,1-2H3 |
| InChIKey | USSKZHOBTVQYHC-UHFFFAOYSA-N |
| Mol Weight | 116.12 g/mol |
| Molecular Formula | C5H8O3 |
| Exact Mass | 116.047344 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | ACc42C26W2d |
|---|---|
| Name | ACETOACETIC, METHYL ESTER |
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Boiling Point | 170C |
| CAS Registry Number | 105-45-3 |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H8O3 |
| InChI | InChI=1S/2C5H8O3/c2*1-4(6)3-5(7)8-2/h3H2,1-2H3;3,6H,1-2H3 |
| InChIKey | USSKZHOBTVQYHC-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Molecular Weight | 116.12 |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |