| SpectraBase Compound ID | 2IoimBbD43L |
|---|---|
| InChI | InChI=1S/C6H8O2/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2 |
| InChIKey | MZQBNTYWHOHSMS-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 | Bw7BEjEc7ds |
|---|---|
| Name | MZQBNTYWHOHSMS-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2 |
| InChIKey | MZQBNTYWHOHSMS-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 112.128 g/mol |
| Source File Reference | MHKO5405 |