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9-[(2S)-2-Hydroxy-3-methoxy-3-methylbutoxy]furo[3,2-G]chromen-7-one, acetate
SpectraBase Compound ID 9dFP2uiYhko
InChI InChI=1S/C19H20O7/c1-11(20)25-14(19(2,3)22-4)10-24-18-16-13(7-8-23-16)9-12-5-6-15(21)26-17(12)18/h5-9,14H,10H2,1-4H3/t14-/m0/s1
InChIKey PYBDAOYVSYDJRX-AWEZNQCLSA-N
Mol Weight 360.36 g/mol
Molecular Formula C19H20O7
Exact Mass 360.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DM87s536wR
Name 9-[(2S)-2-Hydroxy-3-methoxy-3-methylbutoxy]furo[3,2-G]chromen-7-one, acetate
Comments Computed using HOSE algorithm
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Exact Mass 360.120902977 u
Formula C19H20O7
InChI InChI=1S/C19H20O7/c1-11(20)25-14(19(2,3)22-4)10-24-18-16-13(7-8-23-16)9-12-5-6-15(21)26-17(12)18/h5-9,14H,10H2,1-4H3/t14-/m0/s1
InChIKey PYBDAOYVSYDJRX-AWEZNQCLSA-N
Molecular Weight 360.362 g/mol
SMILES [C@@](OC(=O)C)(COC1=C2OC(=O)C=CC2=CC=2C=COC12)(C(OC)(C)C)[H]