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N-(3-Benzyl-1-(diphenylphosphoryl)-6-methoxy-1H-inden-2-yl)benzamide
SpectraBase Compound ID 7M9IHje0IlK
InChI InChI=1S/C36H30NO3P/c1-40-28-22-23-31-32(24-26-14-6-2-7-15-26)34(37-36(38)27-16-8-3-9-17-27)35(33(31)25-28)41(39,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-23,25,35H,24H2,1H3,(H,37,38)
InChIKey CKVWXHUBAIVFJY-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 FKLYRVlEY5E
Name N-(3-Benzyl-1-(diphenylphosphoryl)-6-methoxy-1H-inden-2-yl)benzamide
Appearance White solid
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Formula C36H30NO3P
InChI InChI=1S/C36H30NO3P/c1-40-28-22-23-31-32(24-26-14-6-2-7-15-26)34(37-36(38)27-16-8-3-9-17-27)35(33(31)25-28)41(39,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-23,25,35H,24H2,1H3,(H,37,38)
InChIKey CKVWXHUBAIVFJY-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(C1Cc1ccccc1)ccc(c2)OC)P(c1ccccc1)(=O)c1ccccc1)C(c1ccccc1)=O
SPLASH splash10-0pb9-0218090000-36ca1f8b90c4fae2d7ee
Source of Spectrum JOC-86-9374-4g'
Wiley ID 1867879