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3-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
SpectraBase Compound ID 6niYtaJ9O
InChI InChI=1S/C23H22O5/c1-14-21(27-13-20(24)15-7-9-16(26-2)10-8-15)12-11-18-17-5-3-4-6-19(17)23(25)28-22(14)18/h7-12H,3-6,13H2,1-2H3
InChIKey RSBFSKMYAAMXDZ-UHFFFAOYSA-N
Mol Weight 378.42 g/mol
Molecular Formula C23H22O5
Exact Mass 378.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3H5zLAvOxU
Name 3-[2-(4-Methoxyphenyl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydro-6H-benzo[C]chromen-6-one
Comments Computed using HOSE algorithm
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Exact Mass 378.146723803 u
Formula C23H22O5
InChI InChI=1S/C23H22O5/c1-14-21(27-13-20(24)15-7-9-16(26-2)10-8-15)12-11-18-17-5-3-4-6-19(17)23(25)28-22(14)18/h7-12H,3-6,13H2,1-2H3
InChIKey RSBFSKMYAAMXDZ-UHFFFAOYSA-N
Molecular Weight 378.424 g/mol
SMILES C=12OC(=O)C3=C(C2=CC=C(C1C)OCC(C=1C=CC(=CC1)OC)=O)CCCC3