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5,6-diphenyl-3-(triphenylphosphoranylideneamino)-4-pyridazinecarboxylic acid ethyl ester
SpectraBase Compound ID BOZNvkMZfQo
InChI InChI=1S/C37H30N3O2P/c1-2-42-37(41)34-33(28-18-8-3-9-19-28)35(29-20-10-4-11-21-29)38-39-36(34)40-43(30-22-12-5-13-23-30,31-24-14-6-15-25-31)32-26-16-7-17-27-32/h3-27H,2H2,1H3
InChIKey NTSPCRVUULMDBC-UHFFFAOYSA-N
Mol Weight 579.6 g/mol
Molecular Formula C37H30N3O2P
Exact Mass 579.207564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4liRuxeaJhJ
Name 5,6-diphenyl-3-(triphenylphosphoranylideneamino)-4-pyridazinecarboxylic acid ethyl ester
Alternate Name(s) 5,6-diphenyl-3-(triphenylphosphoranylideneamino)pyridazine-4-carboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C37H30N3O2P
InChI InChI=1S/C37H30N3O2P/c1-2-42-37(41)34-33(28-18-8-3-9-19-28)35(29-20-10-4-11-21-29)38-39-36(34)40-43(30-22-12-5-13-23-30,31-24-14-6-15-25-31)32-26-16-7-17-27-32/h3-27H,2H2,1H3
InChIKey NTSPCRVUULMDBC-UHFFFAOYSA-N
Molecular Weight 579.640 g/mol
SMILES c1(c(c(-c2ccccc2)c(nn1)-c1ccccc1)C(=O)OCC)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0udi-0000090000-2406bd3f89a53b6b5b96
Source of Spectrum F-49-590-17
Wiley ID 1408438