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N-(1-(Diphenylphosphoryl)-3-(4-methoxybenzyl)-1H-inden-2-yl)benzamide
SpectraBase Compound ID BuGv5sdXP6C
InChI InChI=1S/C36H30NO3P/c1-40-28-23-21-26(22-24-28)25-33-31-19-11-12-20-32(31)35(34(33)37-36(38)27-13-5-2-6-14-27)41(39,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-24,35H,25H2,1H3,(H,37,38)
InChIKey JXSSFBHDXPTENS-UHFFFAOYSA-N
Mol Weight 555.6 g/mol
Molecular Formula C36H30NO3P
Exact Mass 555.196331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJosDd4KOVM
Name N-(1-(Diphenylphosphoryl)-3-(4-methoxybenzyl)-1H-inden-2-yl)benzamide
Appearance Pale-yellow solid
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Formula C36H30NO3P
InChI InChI=1S/C36H30NO3P/c1-40-28-23-21-26(22-24-28)25-33-31-19-11-12-20-32(31)35(34(33)37-36(38)27-13-5-2-6-14-27)41(39,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-24,35H,25H2,1H3,(H,37,38)
InChIKey JXSSFBHDXPTENS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00609
Molecular Weight 555.614 g/mol
Reported Formula C36H30NO3P
SMILES N(C=1C(c2c(C1Cc1ccc(cc1)OC)cccc2)P(c1ccccc1)(=O)c1ccccc1)C(c1ccccc1)=O
SPLASH splash10-0zmi-0719070000-f7c6898780bf9b400301
Source of Spectrum JOC-86-9372-4b'
Wiley ID 1867873