| SpectraBase Compound ID | CLGrP3xbDf |
|---|---|
| InChI | InChI=1S/C8H12O5/c1-4-13-5-6(7(9)11-2)8(10)12-3/h5H,4H2,1-3H3 |
| InChIKey | MDCVBTQNWMLXRL-UHFFFAOYSA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C8H12O5 |
| Exact Mass | 188.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gIBtPiFlM6 |
|---|---|
| Name | MDCVBTQNWMLXRL-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H12O5 |
| InChI | InChI=1S/C8H12O5/c1-4-13-5-6(7(9)11-2)8(10)12-3/h5H,4H2,1-3H3 |
| InChIKey | MDCVBTQNWMLXRL-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 188.180 g/mol |
| Source File Reference | MHKO8351 |