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4-[(5,6-Dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]phenyl(4-chlorophenyl) carbamate
SpectraBase Compound ID 9qQygPRQUQp
InChI InChI=1S/C25H22ClNO5/c1-30-22-13-16-12-17(24(28)21(16)14-23(22)31-2)11-15-3-9-20(10-4-15)32-25(29)27-19-7-5-18(26)6-8-19/h3-10,13-14,17H,11-12H2,1-2H3,(H,27,29)
InChIKey WRFPARWDVKKXLR-UHFFFAOYSA-N
Mol Weight 451.91 g/mol
Molecular Formula C25H22ClNO5
Exact Mass 451.118651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTa8HM6swMh
Name 4-[(5,6-Dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]phenyl(4-chlorophenyl) carbamate
Appearance White powder
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Formula C25H22ClNO5
InChI InChI=1S/C25H22ClNO5/c1-30-22-13-16-12-17(24(28)21(16)14-23(22)31-2)11-15-3-9-20(10-4-15)32-25(29)27-19-7-5-18(26)6-8-19/h3-10,13-14,17H,11-12H2,1-2H3,(H,27,29)
InChIKey WRFPARWDVKKXLR-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5975C
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000453
Molecular Weight 451.906 g/mol
SMILES N(C(Oc1ccc(CC2C(c3c(cc(c(c3)OC)OC)C2)=O)cc1)=O)c1ccc(cc1)Cl
SPLASH splash10-052e-0950000000-5ad77a2ff88f18343ac5
Source of Spectrum APC-354-12-4b
Wiley ID 1851407