| SpectraBase Compound ID | JJJuT8w5mT |
|---|---|
| InChI | InChI=1S/2C6H8O2/c2*7-5-2-1-3-6(8)4-5/h1-4H2;4,7H,1-3H2 |
| InChIKey | WTCRXACJHMWLLF-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GZCP5Xcywno |
|---|---|
| Name | 1,3-CYCLOHEXANEDIONE |
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H8O2 |
| InChI | InChI=1S/2C6H8O2/c2*7-5-2-1-3-6(8)4-5/h1-4H2;4,7H,1-3H2 |
| InChIKey | WTCRXACJHMWLLF-UHFFFAOYSA-N |
| Melting Point | 103-105C |
| Molecular Weight | 112.13 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |