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N-(1-(Diphenylphosphoryl)-3-(4-fluorobenzyl)-6-methoxy-1H-inden-2-yl)benzamide
SpectraBase Compound ID 1EgW315EPvQ
InChI InChI=1S/C36H29FNO3P/c1-41-28-21-22-31-32(23-25-17-19-27(37)20-18-25)34(38-36(39)26-11-5-2-6-12-26)35(33(31)24-28)42(40,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-22,24,35H,23H2,1H3,(H,38,39)
InChIKey JWGSMZVBGGWUAG-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 8lhZRH914we
Name N-(1-(Diphenylphosphoryl)-3-(4-fluorobenzyl)-6-methoxy-1H-inden-2-yl)benzamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H29FNO3P
InChI InChI=1S/C36H29FNO3P/c1-41-28-21-22-31-32(23-25-17-19-27(37)20-18-25)34(38-36(39)26-11-5-2-6-12-26)35(33(31)24-28)42(40,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-22,24,35H,23H2,1H3,(H,38,39)
InChIKey JWGSMZVBGGWUAG-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(Cc2ccc(cc2)F)c2c(C1P(c1ccccc1)(c1ccccc1)=O)cc(cc2)OC)C(c1ccccc1)=O
SPLASH splash10-00di-0229050000-96d29a3bb458a6cbb2f0
Source of Spectrum JOC-86-9375-4i'
Wiley ID 1867882