| SpectraBase Compound ID | 9ONajpdYlWc |
|---|---|
| InChI | InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2 |
| InChIKey | OILAIQUEIWYQPH-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3K89vLkR92H |
|---|---|
| Name | 1,2-cyclohexandione, 3TMS, 2MEOX |
| Comments | Non-derivatized structure shown; Derivatization type: 3 TMS (mass: 386.224); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000781; Note: The molecular formula of the structure shown is C6H8O2 - which differs from the formula reported for the mass spectrum (C17H38N2O2Si3) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H38N2O2Si3 |
| InChI | InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2 |
| InChIKey | OILAIQUEIWYQPH-UHFFFAOYSA-N |
| Molecular Weight | 112.128 g/mol |
| SMILES | C1CCC(C(C1)=O)=O |
| SPLASH | splash10-00ba-0910000000-5d3661a7ec79fc9c94a5 |
| Source of Spectrum | FM-2019-781-0 |
| Synonyms | 1,2-Dioxocyclohexane, 3TMS, 2MEOX 1,2-CYCLOHEXANEDIONE, 3TMS, 2MEOX 1,2-Cyclohexadione, 3TMS, 2MEOX Cyclohexane-1,2-dione, 3TMS, 2MEOX Cyclohexan-1,2-dione, 3TMS, 2MEOX C101400_ALDRICH, 3TMS, 2MEOX cyclohexane-1,2-dione, 3TMS, 2MEOX cyclohexane-1,2-dione |
| Wiley ID | 1818455 |