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Phosphorin, 4-(1,1-dimethylethyl)-1,4-dihydro-1-(2-methyl-4-nitrophenyl)-2,6-diph enyl-4-(2-propenyl)-, 1-oxide, trans-
SpectraBase Compound ID AfpdgjJeybr
InChI InChI=1S/C31H32NO3P/c1-6-19-31(30(3,4)5)21-28(24-13-9-7-10-14-24)36(35,29(22-31)25-15-11-8-12-16-25)27-18-17-26(32(33)34)20-23(27)2/h6-18,20-22H,1,19H2,2-5H3
InChIKey LKXGYPZLXVDYSS-UHFFFAOYSA-N
Mol Weight 497.6 g/mol
Molecular Formula C31H32NO3P
Exact Mass 497.211981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JxvnEKcA1S
Name Phosphorin, 4-(1,1-dimethylethyl)-1,4-dihydro-1-(2-methyl-4-nitrophenyl)-2,6-diph enyl-4-(2-propenyl)-, 1-oxide, trans-
CAS Registry Number 78336-90-0
Comments Less than 3 mono-isotopic peaks
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Formula C31H32NO3P
InChI InChI=1S/C31H32NO3P/c1-6-19-31(30(3,4)5)21-28(24-13-9-7-10-14-24)36(35,29(22-31)25-15-11-8-12-16-25)27-18-17-26(32(33)34)20-23(27)2/h6-18,20-22H,1,19H2,2-5H3
InChIKey LKXGYPZLXVDYSS-UHFFFAOYSA-N
Molecular Weight 497.575 g/mol
SMILES C=1(P(C(=CC(C1)(C(C)(C)C)CC=C)c1ccccc1)(c1c(cc(N(=O)=O)cc1)C)=O)c1ccccc1
SPLASH splash10-0a4j-0000900000-bfea576afd2e6163bc25
Source of Spectrum K-114-1765-0
Synonyms 4-Allyl-4-tert-butyl-1,4-dihydro-1-(2-methyl-4-nitrophenyl)-2,6-diphenylphosphorin-1-oxide 4-allyl-4-tert-butyl-1-(2-methyl-4-nitrophenyl)-2,6-diphenyl-1,4-dihydrophosphorin 1-oxide
Wiley ID 1398436