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2-Methylthio-3-methyl-6-[(triphenyl-.lambda.5-phosphanylidene)amino]pyrimidin-4(3H)-one
SpectraBase Compound ID 9ZMcFz0yVIC
InChI InChI=1S/C24H22N3OPS/c1-27-23(28)18-22(25-24(27)30-2)26-29(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3
InChIKey PLCTYEDZKNGBHV-UHFFFAOYSA-N
Mol Weight 431.49 g/mol
Molecular Formula C24H22N3OPS
Exact Mass 431.122121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpFSvyJLgA1
Name 2-Methylthio-3-methyl-6-[(triphenyl-.lambda.5-phosphanylidene)amino]pyrimidin-4(3H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.122120511 u
Formula C24H22N3OPS
InChI InChI=1S/C24H22N3OPS/c1-27-23(28)18-22(25-24(27)30-2)26-29(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3
InChIKey PLCTYEDZKNGBHV-UHFFFAOYSA-N
Instrument Name Hewlett Packard Engine-5989
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4487
Molecular Weight 431.494 g/mol
Quality 950
SMILES C1(N(C(=NC(=C1)N=P(C1=CC=CC=C1)(C=1C=CC=CC1)C=1C=CC=CC1)SC)C)=O
SPLASH splash10-001i-6921500000-84cbc3ba3aadc952ff56
Source of Spectrum Y-59-SM20-7b (DOI: 10.1002/jhet.4487)
Wiley ID 1892508