| SpectraBase Compound ID | IdPmNgGkbPd |
|---|---|
| InChI | InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3 |
| InChIKey | KLKFAASOGCDTDT-UHFFFAOYSA-N |
| Mol Weight | 104.15 g/mol |
| Molecular Formula | C5H12O2 |
| Exact Mass | 104.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22iGIm9n7Qx |
|---|---|
| Name | KLKFAASOGCDTDT-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C5H12O2 |
| InChI | InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3 |
| InChIKey | KLKFAASOGCDTDT-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 104.149 g/mol |
| Source File Reference | MHKO21137 |