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N-(3-(Diphenylphosphoryl)-1-(4-methylbenzyl)-1H-inden-2-yl)-benzamide
SpectraBase Compound ID BmHuZaGYdU3
InChI InChI=1S/C36H30NO2P/c1-26-21-23-27(24-22-26)25-33-31-19-11-12-20-32(31)35(34(33)37-36(38)28-13-5-2-6-14-28)40(39,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-24,33H,25H2,1H3,(H,37,38)
InChIKey NWCONYJKSFRHIJ-UHFFFAOYSA-N
Mol Weight 539.6 g/mol
Molecular Formula C36H30NO2P
Exact Mass 539.201416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kwfuWlV7g9
Name N-(3-(Diphenylphosphoryl)-1-(4-methylbenzyl)-1H-inden-2-yl)-benzamide
Appearance Pale yellow oil
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Formula C36H30NO2P
InChI InChI=1S/C36H30NO2P/c1-26-21-23-27(24-22-26)25-33-31-19-11-12-20-32(31)35(34(33)37-36(38)28-13-5-2-6-14-28)40(39,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-24,33H,25H2,1H3,(H,37,38)
InChIKey NWCONYJKSFRHIJ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00609
Molecular Weight 539.615 g/mol
Reported Formula C36H30NO2P
SMILES N(C=1C(Cc2ccc(cc2)C)c2c(C1P(c1ccccc1)(c1ccccc1)=O)cccc2)C(c1ccccc1)=O
SPLASH splash10-000i-9215020000-9f23a209a3a2cddcbf5c
Source of Spectrum JOC-86-9373-4c
Wiley ID 1867876