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Phosphorin, 4-(4-fluorophenyl)-1,4-dihydro-1-methyl-2,6-diphenyl-4-(1,2-propadien yl)-, 1-oxide, trans-
SpectraBase Compound ID DCGQKteeRlW
InChI InChI=1S/C27H22FOP/c1-3-18-27(23-14-16-24(28)17-15-23)19-25(21-10-6-4-7-11-21)30(2,29)26(20-27)22-12-8-5-9-13-22/h4-20H,1H2,2H3/t27-,30-
InChIKey FIWYCMHMAONBBE-CCURTVBJSA-N
Mol Weight 412.44 g/mol
Molecular Formula C27H22FOP
Exact Mass 412.13923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXjgwJggA0i
Name Phosphorin, 4-(4-fluorophenyl)-1,4-dihydro-1-methyl-2,6-diphenyl-4-(1,2-propadien yl)-, 1-oxide, trans-
CAS Registry Number 78336-96-6
Comments Less than 3 mono-isotopic peaks
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Formula C27H22FOP
InChI InChI=1S/C27H22FOP/c1-3-18-27(23-14-16-24(28)17-15-23)19-25(21-10-6-4-7-11-21)30(2,29)26(20-27)22-12-8-5-9-13-22/h4-20H,1H2,2H3/t27-,30-
InChIKey FIWYCMHMAONBBE-CCURTVBJSA-N
Molecular Weight 412.444 g/mol
SMILES C=1([P@](C(=C[C@](C1)(C=C=C)c1ccc(cc1)F)c1ccccc1)(=O)C)c1ccccc1
SPLASH splash10-03di-0000900000-b28be446b38e94b93313
Source of Spectrum K-114-1766-0
Synonyms 4-(4-fluorophenyl)-1-methyl-2,6-diphenyl-4-(1,2-propadienyl)-1,4-dihydrophosphorin 1-oxide 4-Allenyl-4-(4-fluorophenyl)-1,4-dihydro-1-methyl-2,6-diphenylphosphorin-1-oxide
Wiley ID 1374625