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acetic acid (7-acetoxy-1-keto-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-4-yl) ester
SpectraBase Compound ID 5XgO185YMmi
InChI InChI=1S/C12H16O6/c1-6(13)17-9-3-4-10(18-7(2)14)11-8(9)5-16-12(11)15/h8-11H,3-5H2,1-2H3
InChIKey IJUSXGVDIWHBKU-UHFFFAOYSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nYBndw1j31
Name acetic acid (7-acetoxy-1-keto-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-4-yl) ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-6(13)17-9-3-4-10(18-7(2)14)11-8(9)5-16-12(11)15/h8-11H,3-5H2,1-2H3
InChIKey IJUSXGVDIWHBKU-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 256.255 g/mol
Source File Reference MHKO16852