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2-[(E)-2-phenylethenyl]-5,7-bis(phenylmethoxy)-1-benzopyran-4-one
SpectraBase Compound ID EAYYibCviGy
InChI InChI=1S/C31H24O4/c32-28-18-26(17-16-23-10-4-1-5-11-23)35-30-20-27(33-21-24-12-6-2-7-13-24)19-29(31(28)30)34-22-25-14-8-3-9-15-25/h1-20H,21-22H2/b17-16+
InChIKey XDEXSSXYGIPLDP-WUKNDPDISA-N
Mol Weight 460.53 g/mol
Molecular Formula C31H24O4
Exact Mass 460.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lahW3XgKSn
Name 2-[(E)-2-Phenylethenyl]-5,7-bis(phenylmethoxy)-1-benzopyran-4-one
Comments Computed using HOSE algorithm
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Exact Mass 460.167459249 u
Formula C31H24O4
InChI InChI=1S/C31H24O4/c32-28-18-26(17-16-23-10-4-1-5-11-23)35-30-20-27(33-21-24-12-6-2-7-13-24)19-29(31(28)30)34-22-25-14-8-3-9-15-25/h1-20H,21-22H2/b17-16+
InChIKey XDEXSSXYGIPLDP-WUKNDPDISA-N
Molecular Weight 460.529 g/mol
SMILES C1=2C(C=C(OC2C=C(C=C1OCC=1C=CC=CC1)OCC1=CC=CC=C1)\C=C\C=1C=CC=CC1)=O