| SpectraBase Compound ID | BbCpATDFPWh |
|---|---|
| InChI | InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 |
| InChIKey | QSJXEFYPDANLFS-UHFFFAOYSA-N |
| Mol Weight | 86.09 g/mol |
| Molecular Formula | C4H6O2 |
| Exact Mass | 86.036779 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2B4LtgjhJw |
|---|---|
| Name | 2,3-Butanedione |
| CAS Registry Number | 431-03-8 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C4H6O2 |
| InChI | InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 |
| InChIKey | QSJXEFYPDANLFS-UHFFFAOYSA-N |
| Instrument Name | SF = 060 MHz |
| Literature Reference | J. Am. Chem. Soc. 89, 749 (1967). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | H2O |