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3-carboethoxy-5-[(methylamino)carbonyl]-2-(methylthio)-6-[(triphenyl-.lambda.5-phosphanylidene)amino]pyridine
SpectraBase Compound ID EwBoY4Gij5t
InChI InChI=1S/C29H28N3O3PS/c1-4-35-29(34)25-20-24(27(33)30-2)26(31-28(25)37-3)32-36(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,4H2,1-3H3,(H,30,33)
InChIKey UDQFBSPNQICZPJ-UHFFFAOYSA-N
Mol Weight 529.59 g/mol
Molecular Formula C29H28N3O3PS
Exact Mass 529.1589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9f99p6oRZvK
Name 3-carboethoxy-5-[(methylamino)carbonyl]-2-(methylthio)-6-[(triphenyl-.lambda.5-phosphanylidene)amino]pyridine
Appearance White solid
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Exact Mass 529.158899943 u
Formula C29H28N3O3PS
InChI InChI=1S/C29H28N3O3PS/c1-4-35-29(34)25-20-24(27(33)30-2)26(31-28(25)37-3)32-36(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,4H2,1-3H3,(H,30,33)
InChIKey UDQFBSPNQICZPJ-UHFFFAOYSA-N
Instrument Name Hewlett Packard Engine-5989
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4487
Molecular Weight 529.595 g/mol
Quality 967
SMILES N(C(C1=C(N=C(C(C(=O)OCC)=C1)SC)N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C=1C=CC=CC1)=O)C
SPLASH splash10-06si-3941320000-e942f5db7fd2a921482e
Source of Spectrum Y-59-SM31-14b (DOI: 10.1002/jhet.4487)
Thin-Layer Chromatography 0.81
Wiley ID 1892504