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N-(3-(Diphenylphosphoryl)-1-(4-fluorobenzyl)-6-methoxy-1H-inden-2-yl)benzamide
SpectraBase Compound ID AT9pSAtIlsb
InChI InChI=1S/C36H29FNO3P/c1-41-28-21-22-31-32(24-28)33(23-25-17-19-27(37)20-18-25)34(38-36(39)26-11-5-2-6-12-26)35(31)42(40,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-22,24,33H,23H2,1H3,(H,38,39)
InChIKey VZBMSVUVNHQLAD-UHFFFAOYSA-N
Mol Weight 573.6 g/mol
Molecular Formula C36H29FNO3P
Exact Mass 573.186909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fllToFjt89
Name N-(3-(Diphenylphosphoryl)-1-(4-fluorobenzyl)-6-methoxy-1H-inden-2-yl)benzamide
Appearance Brown oil
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Formula C36H29FNO3P
InChI InChI=1S/C36H29FNO3P/c1-41-28-21-22-31-32(24-28)33(23-25-17-19-27(37)20-18-25)34(38-36(39)26-11-5-2-6-12-26)35(31)42(40,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-22,24,33H,23H2,1H3,(H,38,39)
InChIKey VZBMSVUVNHQLAD-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00609
Molecular Weight 573.604 g/mol
Reported Formula C36H29FNO3P
SMILES N(C1=C(c2c(C1Cc1ccc(cc1)F)cc(cc2)OC)P(c1ccccc1)(=O)c1ccccc1)C(c1ccccc1)=O
SPLASH splash10-00di-0419020000-ec3c394cab8db58940b5
Source of Spectrum JOC-86-9376-4o
Wiley ID 1867893