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3,4-dicarbomethoxy-2-methylthio-6-[(triphenyl-.lambda.5-phosphanylidene)amino]pyridine
SpectraBase Compound ID BtCXPN6tEbO
InChI InChI=1S/C28H25N2O4PS/c1-33-27(31)23-19-24(29-26(36-3)25(23)28(32)34-2)30-35(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3
InChIKey ZFAQMPVCTOFICX-UHFFFAOYSA-N
Mol Weight 516.55 g/mol
Molecular Formula C28H25N2O4PS
Exact Mass 516.127265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LUKyhTG0mJ
Name 3,4-dicarbomethoxy-2-methylthio-6-[(triphenyl-.lambda.5-phosphanylidene)amino]pyridine
Appearance Yellowish solid foam
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Formula C28H25N2O4PS
InChI InChI=1S/C28H25N2O4PS/c1-33-27(31)23-19-24(29-26(36-3)25(23)28(32)34-2)30-35(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3
InChIKey ZFAQMPVCTOFICX-UHFFFAOYSA-N
Instrument Name Hewlett Packard Engine-5989
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4487
Molecular Weight 516.552 g/mol
Quality 692
SMILES C1(=C(C=C(N=P(C2=CC=CC=C2)(C=2C=CC=CC2)C=2C=CC=CC2)N=C1SC)C(OC)=O)C(OC)=O
SPLASH splash10-07vi-1570890000-faf9aa6ae12e8f40f676
Source of Spectrum Y-59-SM24-10b (DOI: 10.1002/jhet.4487)
Thin-Layer Chromatography 0.77 (CH2Cl2/MeOH, 90:10)
Wiley ID 1892498