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9-[(2S)-2-Hydroxy-3-methoxy-3-methylbutoxy]furo[3,2-G]chromen-7-one
SpectraBase Compound ID DXmv4w3q51c
InChI InChI=1S/C17H18O6/c1-17(2,20-3)12(18)9-22-16-14-11(6-7-21-14)8-10-4-5-13(19)23-15(10)16/h4-8,12,18H,9H2,1-3H3/t12-/m0/s1
InChIKey ICVVBGAHOQMQEJ-LBPRGKRZSA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZhHGIMP0DU
Name 9-[(2S)-2-Hydroxy-3-methoxy-3-methylbutoxy]furo[3,2-G]chromen-7-one
Comments Computed using HOSE algorithm
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Exact Mass 318.110338294 u
Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-17(2,20-3)12(18)9-22-16-14-11(6-7-21-14)8-10-4-5-13(19)23-15(10)16/h4-8,12,18H,9H2,1-3H3/t12-/m0/s1
InChIKey ICVVBGAHOQMQEJ-LBPRGKRZSA-N
Molecular Weight 318.325 g/mol
SMILES C1(C=CC2=CC3=C(C(=C2O1)OC[C@@](C(C)(C)OC)(O)[H])OC=C3)=O