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VCBHABVPYYFXJS-XRGYYRRGSA-N
SpectraBase Compound ID 7DsMrZE7g6W
InChI InChI=1S/C15H16O5/c1-5-4-8(16)10-6(2)15(19)20-14-7(3)12(17)13(18)9(5)11(10)14/h5,8,16-18H,4H2,1-3H3/t5-,8+/m1/s1
InChIKey VCBHABVPYYFXJS-XRGYYRRGSA-N
Mol Weight 276.29 g/mol
Molecular Formula C15H16O5
Exact Mass 276.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ChuqCxjsn3
Name 6,7,9-ALPHA-TRIHYDROXY-3,8,11-ALPHA-TRIMETHYLCYCLOHEXO-[D,E]-COUMARIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16O5
InChI InChI=1S/C15H16O5/c1-5-4-8(16)10-6(2)15(19)20-14-7(3)12(17)13(18)9(5)11(10)14/h5,8,16-18H,4H2,1-3H3/t5-,8+/m1/s1
InChIKey VCBHABVPYYFXJS-XRGYYRRGSA-N
Literature Reference Author W.CHEN,W.TANG,L.LOU,W.ZHAO
Literature Reference Citation PHYTOCHEM.,67,1041(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.03.005
Molecular Weight 276.289 g/mol
Sample ID 66268
Solvent CD3OD