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3-Benzyloxy-7-dodecyl-2-(4-benzyloxy-3,5-dimethoxy-phenyl)-chromen-4-one
SpectraBase Compound ID ELENSUjmuOw
InChI InChI=1S/C43H50O6/c1-4-5-6-7-8-9-10-11-12-15-20-32-25-26-36-37(27-32)49-41(43(40(36)44)48-31-34-23-18-14-19-24-34)35-28-38(45-2)42(39(29-35)46-3)47-30-33-21-16-13-17-22-33/h13-14,16-19,21-29H,4-12,15,20,30-31H2,1-3H3
InChIKey IRQNXTCOLGBPKU-UHFFFAOYSA-N
Mol Weight 662.9 g/mol
Molecular Formula C43H50O6
Exact Mass 662.360739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17e3fWpgHNH
Name 3-Benzyloxy-7-dodecyl-2-(4-benzyloxy-3,5-dimethoxy-phenyl)-chromen-4-one
Appearance Pale yellow oil
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Formula C43H50O6
InChI InChI=1S/C43H50O6/c1-4-5-6-7-8-9-10-11-12-15-20-32-25-26-36-37(27-32)49-41(43(40(36)44)48-31-34-23-18-14-19-24-34)35-28-38(45-2)42(39(29-35)46-3)47-30-33-21-16-13-17-22-33/h13-14,16-19,21-29H,4-12,15,20,30-31H2,1-3H3
InChIKey IRQNXTCOLGBPKU-UHFFFAOYSA-N
Ionization Type EI positive ion
Molecular Weight 662.867 g/mol
SMILES c1c(cc2OC(c3cc(OC)c(OCc4ccccc4)c(OC)c3)=C(OCc3ccccc3)C(=O)c2c1)CCCCCCCCCCCC
SPLASH splash10-0006-9000010000-a967ea30ef5fcf8a2246
Source of Spectrum AU2003251328B2
Wiley ID 1841281