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Dimethyl 6-[3-methoxy-1-(carbomethoxy)-3-oxo-2-(triphenyl-.lambda.5-phosphanylidene)propylidene]amino-2-methylthio-3,4-pyridinedicarboxylate
SpectraBase Compound ID qUjKCpV1e1
InChI InChI=1S/C34H31N2O8PS/c1-41-31(37)25-21-26(36-30(46-5)27(25)32(38)42-2)35-28(33(39)43-3)29(34(40)44-4)45(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21H,1-5H3
InChIKey AUXIWIJYFZJEEV-UHFFFAOYSA-N
Mol Weight 658.7 g/mol
Molecular Formula C34H31N2O8PS
Exact Mass 658.153874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ncJ25rew2B
Name Dimethyl 6-[3-methoxy-1-(carbomethoxy)-3-oxo-2-(triphenyl-.lambda.5-phosphanylidene)propylidene]amino-2-methylthio-3,4-pyridinedicarboxylate
Appearance Yellow blocks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 658.153874130 u
Formula C34H31N2O8PS
InChI InChI=1S/C34H31N2O8PS/c1-41-31(37)25-21-26(36-30(46-5)27(25)32(38)42-2)35-28(33(39)43-3)29(34(40)44-4)45(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21H,1-5H3
InChIKey AUXIWIJYFZJEEV-UHFFFAOYSA-N
Instrument Name Hewlett Packard Engine-5989
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4487
Molecular Weight 658.662 g/mol
Quality 917
SMILES C1(=C(C(OC)=O)C=C(N=C(C(=P(C2=CC=CC=C2)(C2=CC=CC=C2)C=2C=CC=CC2)C(OC)=O)C(=O)OC)N=C1SC)C(OC)=O
SPLASH splash10-052b-2693067000-7821c28efe2984786acf
Source of Spectrum Y-59-SM26-11b (DOI: 10.1002/jhet.4487)
Thin-Layer Chromatography 0.62 (CH2Cl2/MeOH, 90:10)
Wiley ID 1892500