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VERBEOFFLIN-I;3-[5-(METHOXYCARBONYL)-2-OXO-2H-PYRAN-3-YL]-BUTANOIC-ACID
SpectraBase Compound ID 9HlRoCbjSo
InChI InChI=1S/C11H12O6/c1-6(3-9(12)13)8-4-7(10(14)16-2)5-17-11(8)15/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey GEWJFDSWHDYAPS-UHFFFAOYSA-N
Mol Weight 240.21 g/mol
Molecular Formula C11H12O6
Exact Mass 240.063388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCW5Mca4DBF
Name VERBEOFFLIN-I;3-[5-(METHOXYCARBONYL)-2-OXO-2H-PYRAN-3-YL]-BUTANOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12O6
InChI InChI=1S/C11H12O6/c1-6(3-9(12)13)8-4-7(10(14)16-2)5-17-11(8)15/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey GEWJFDSWHDYAPS-UHFFFAOYSA-N
Literature Reference Author J.SHU,G.CHOU,Z.WANG
Literature Reference Citation MOLECULES,19,10473(2014)
Literature Reference DOI 10.3390/molecules190710473
Molecular Weight 240.213 g/mol
Solvent CD3OD
Source File Reference UWIR14868