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Phosphorin, 1,4-dihydro-1-methyl-2,4,6-triphenyl-4-(1,2-propadienyl)-, 1-oxide, trans-
SpectraBase Compound ID 474ibkHwR16
InChI InChI=1S/C27H23OP/c1-3-19-27(24-17-11-6-12-18-24)20-25(22-13-7-4-8-14-22)29(2,28)26(21-27)23-15-9-5-10-16-23/h4-21H,1H2,2H3
InChIKey UVENRGDHVXVPDD-UHFFFAOYSA-N
Mol Weight 394.45 g/mol
Molecular Formula C27H23OP
Exact Mass 394.148652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31uJC924BwQ
Name Phosphorin, 1,4-dihydro-1-methyl-2,4,6-triphenyl-4-(1,2-propadienyl)-, 1-oxide, trans-
CAS Registry Number 78336-95-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23OP
InChI InChI=1S/C27H23OP/c1-3-19-27(24-17-11-6-12-18-24)20-25(22-13-7-4-8-14-22)29(2,28)26(21-27)23-15-9-5-10-16-23/h4-21H,1H2,2H3
InChIKey UVENRGDHVXVPDD-UHFFFAOYSA-N
Molecular Weight 394.454 g/mol
SMILES C=1(P(C(=CC(C1)(C=C=C)c1ccccc1)c1ccccc1)(=O)C)c1ccccc1
SPLASH splash10-0006-0009000000-4ff0081a50859dd9da7d
Source of Spectrum K-114-1765-0
Synonyms 1-methyl-2,4,6-triphenyl-4-(1,2-propadienyl)-1,4-dihydrophosphorin 1-oxide 4-Allenyl-1,4-dihydro-1-methyl-2,4,6-triphenylphosphorin-1-oxide
Wiley ID 1366874