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acetic acid [(1S,2R,3aS,6aS)-2-acetoxy-6-keto-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl] ester
SpectraBase Compound ID 43op8GzaZZm
InChI InChI=1S/C12H16O5/c1-6(13)16-10-5-8-3-4-9(15)11(8)12(10)17-7(2)14/h8,10-12H,3-5H2,1-2H3/t8-,10+,11+,12+/m0/s1
InChIKey KJXGRTQJFZYZHF-JTLRNRKASA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IAjzI0Z5wai
Name acetic acid [(1S,2R,3aS,6aS)-2-acetoxy-6-keto-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-6(13)16-10-5-8-3-4-9(15)11(8)12(10)17-7(2)14/h8,10-12H,3-5H2,1-2H3/t8-,10+,11+,12+/m0/s1
InChIKey KJXGRTQJFZYZHF-JTLRNRKASA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 240.256 g/mol
Source File Reference MHKO13300