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3-[[o-(Methoxycarbonyl)phenyl]amino]-2-(triphenylphosphoranylimino)cinnoline
SpectraBase Compound ID 5CAyAVqL3cu
InChI InChI=1S/C33H27N4O2P/c1-39-33(38)29-22-12-13-23-30(29)34-32-28-21-11-14-24-31(28)35-37(32)36-40(25-15-5-2-6-16-25,26-17-7-3-8-18-26)27-19-9-4-10-20-27/h2-24,34H,1H3
InChIKey OXZMWGQYHIPIPK-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C33H27N4O2P
Exact Mass 542.187163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsY9duFAsAq
Name 3-[[o-(Methoxycarbonyl)phenyl]amino]-2-(triphenylphosphoranylimino)cinnoline
Alternate Name(s) 2-[[2-(triphenylphosphoranylideneamino)-3-indazolyl]amino]benzoic acid methyl ester Methyl 2-[[2-[(triphenyl-$l^{5}-phosphanylidene)amino]indazol-3-yl]amino]benzoate
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Formula C33H27N4O2P
InChI InChI=1S/C33H27N4O2P/c1-39-33(38)29-22-12-13-23-30(29)34-32-28-21-11-14-24-31(28)35-37(32)36-40(25-15-5-2-6-16-25,26-17-7-3-8-18-26)27-19-9-4-10-20-27/h2-24,34H,1H3
InChIKey OXZMWGQYHIPIPK-UHFFFAOYSA-N
Molecular Weight 542.579 g/mol
SMILES N(c1[n](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccccc12)c1c(C(=O)OC)cccc1
SPLASH splash10-0059-0890020000-6747cd3bac724c9890c7
Source of Spectrum F-48-3100-9
Wiley ID 1404880