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4-[(5,6-Dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]phenyl(3-chlorophenyl) carbamate
SpectraBase Compound ID 4rCBnKN9EXN
InChI InChI=1S/C25H22ClNO5/c1-30-22-12-16-11-17(24(28)21(16)14-23(22)31-2)10-15-6-8-20(9-7-15)32-25(29)27-19-5-3-4-18(26)13-19/h3-9,12-14,17H,10-11H2,1-2H3,(H,27,29)
InChIKey OBLGFTONKPGQKY-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 AyhErZlWIxj
Name 4-[(5,6-Dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]phenyl(3-chlorophenyl) carbamate
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22ClNO5
InChI InChI=1S/C25H22ClNO5/c1-30-22-12-16-11-17(24(28)21(16)14-23(22)31-2)10-15-6-8-20(9-7-15)32-25(29)27-19-5-3-4-18(26)13-19/h3-9,12-14,17H,10-11H2,1-2H3,(H,27,29)
InChIKey OBLGFTONKPGQKY-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)c1cc(ccc1)Cl
SPLASH splash10-0udm-0930000000-3749da5bc396874096cb
Source of Spectrum APC-354-12-4c
Wiley ID 1851408