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3-[(triphenylphosphoranyl)imino]-2-[[2-(ethoxycarbonyl)-2-(triphenylphosphoranyl)imino]ethenyl]thiophene
SpectraBase Compound ID Je2yh42r5W7
InChI InChI=1S/C45H38N2O2P2S/c1-2-49-45(48)43(47-51(39-27-15-6-16-28-39,40-29-17-7-18-30-40)41-31-19-8-20-32-41)35-44-42(33-34-52-44)46-50(36-21-9-3-10-22-36,37-23-11-4-12-24-37)38-25-13-5-14-26-38/h3-35H,2H2,1H3/b43-35+
InChIKey LAECGYUWOBEMNA-AMOOHMQNSA-N
Mol Weight 732.8 g/mol
Molecular Formula C45H38N2O2P2S
Exact Mass 732.212924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27esUsRRmjL
Name 3-[(triphenylphosphoranyl)imino]-2-[[2-(ethoxycarbonyl)-2-(triphenylphosphoranyl)imino]ethenyl]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H38N2O2P2S
InChI InChI=1S/C45H38N2O2P2S/c1-2-49-45(48)43(47-51(39-27-15-6-16-28-39,40-29-17-7-18-30-40)41-31-19-8-20-32-41)35-44-42(33-34-52-44)46-50(36-21-9-3-10-22-36,37-23-11-4-12-24-37)38-25-13-5-14-26-38/h3-35H,2H2,1H3/b43-35+
InChIKey LAECGYUWOBEMNA-AMOOHMQNSA-N
Molecular Weight 732.819 g/mol
SMILES c1(P(=N\C(=C\c2c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)ccs2)C(=O)OCC)(c2ccccc2)c2ccccc2)ccccc1
SPLASH splash10-001i-0900100000-bae739c7cf03381ece31
Source of Spectrum J-58-5268-13
Wiley ID 1415961