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butyl {[5-(2-butoxy-2-oxoethoxy)-2-oxo-4-phenyl-2H-chromen-7-yl]oxy}acetate
SpectraBase Compound ID 7o3EdSf4OAt
InChI InChI=1S/C27H30O8/c1-3-5-12-31-25(29)17-33-20-14-22(34-18-26(30)32-13-6-4-2)27-21(19-10-8-7-9-11-19)16-24(28)35-23(27)15-20/h7-11,14-16H,3-6,12-13,17-18H2,1-2H3
InChIKey UCFRDECPUOIGBX-UHFFFAOYSA-N
Mol Weight 482.53 g/mol
Molecular Formula C27H30O8
Exact Mass 482.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jo3Mrqo6W9
Name Butyl {[5-(2-butoxy-2-oxoethoxy)-2-oxo-4-phenyl-2H-chromen-7-yl]oxy}acetate
Comments Computed using HOSE algorithm
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Exact Mass 482.194067918 u
Formula C27H30O8
InChI InChI=1S/C27H30O8/c1-3-5-12-31-25(29)17-33-20-14-22(34-18-26(30)32-13-6-4-2)27-21(19-10-8-7-9-11-19)16-24(28)35-23(27)15-20/h7-11,14-16H,3-6,12-13,17-18H2,1-2H3
InChIKey UCFRDECPUOIGBX-UHFFFAOYSA-N
Molecular Weight 482.529 g/mol
SMILES C=1(C2=C(C=C(OCC(=O)OCCCC)C=C2OCC(=O)OCCCC)OC(C1)=O)C1=CC=CC=C1