| SpectraBase Compound ID | CXekXEHWUAn |
|---|---|
| InChI | InChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2/t4-,5-/m0/s1 |
| InChIKey | JOODUMVMXMJPTD-WHFBIAKZSA-N |
| Mol Weight | 100.12 g/mol |
| Molecular Formula | C5H8O2 |
| Exact Mass | 100.052429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITP2xJVRpEA |
|---|---|
| Name | JOODUMVMXMJPTD-WHFBIAKZSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C5H8O2 |
| InChI | InChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2/t4-,5-/m0/s1 |
| InChIKey | JOODUMVMXMJPTD-WHFBIAKZSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 100.117 g/mol |
| Source File Reference | MHKO9121 |