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Ethyl 5,6-bis(4-methoxyphenyl)-3-(triphenylphosphoranylideneamino)pyridazin-4-carboxylate
SpectraBase Compound ID GroxnakoV3c
InChI InChI=1S/C39H34N3O4P/c1-4-46-39(43)36-35(28-20-24-30(44-2)25-21-28)37(29-22-26-31(45-3)27-23-29)40-41-38(36)42-47(32-14-8-5-9-15-32,33-16-10-6-11-17-33)34-18-12-7-13-19-34/h5-27H,4H2,1-3H3
InChIKey AGYZXVXWSAMIMX-UHFFFAOYSA-N
Mol Weight 639.7 g/mol
Molecular Formula C39H34N3O4P
Exact Mass 639.228694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCx2jnuZcMc
Name Ethyl 5,6-Bis(4-methoxyphenyl)-3-(triphenylphosphoranylideneamino)pyridazin-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C39H34N3O4P
InChI InChI=1S/C39H34N3O4P/c1-4-46-39(43)36-35(28-20-24-30(44-2)25-21-28)37(29-22-26-31(45-3)27-23-29)40-41-38(36)42-47(32-14-8-5-9-15-32,33-16-10-6-11-17-33)34-18-12-7-13-19-34/h5-27H,4H2,1-3H3
InChIKey AGYZXVXWSAMIMX-UHFFFAOYSA-N
Molecular Weight 639.692 g/mol
SMILES c1(c(c(-c2ccc(cc2)OC)c(nn1)-c1ccc(cc1)OC)C(=O)OCC)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-03di-0000009000-4c97107a77fd0d995263
Source of Spectrum F-49-590-17
Synonyms ethyl 5,6-bis(4-methoxyphenyl)-3-[(triphenylphosphoranylidene)amino]-4-pyridazinecarboxylate
Wiley ID 1412565