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Dimethyl 2-{[3-methyl-2-methylthio-4-oxo-3,4-dihydro-6-pyrimidinyl]imino}-3-(triphenyl-.lambda.5-phosphanylidene) succinate
SpectraBase Compound ID CABuPshKwMa
InChI InChI=1S/C30H28N3O5PS/c1-33-25(34)20-24(32-30(33)40-4)31-26(28(35)37-2)27(29(36)38-3)39(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,1-4H3
InChIKey ITCROKWGNAACCA-UHFFFAOYSA-N
Mol Weight 573.6 g/mol
Molecular Formula C30H28N3O5PS
Exact Mass 573.148729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjFUyK1EIuy
Name Dimethyl 2-{[3-methyl-2-methylthio-4-oxo-3,4-dihydro-6-pyrimidinyl]imino}-3-(triphenyl-.lambda.5-phosphanylidene) succinate
Appearance Yellow blocks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 573.148729181 u
Formula C30H28N3O5PS
InChI InChI=1S/C30H28N3O5PS/c1-33-25(34)20-24(32-30(33)40-4)31-26(28(35)37-2)27(29(36)38-3)39(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,1-4H3
InChIKey ITCROKWGNAACCA-UHFFFAOYSA-N
Instrument Name Hewlett Packard Engine-5989
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4487
Molecular Weight 573.604 g/mol
Quality 906
SMILES C1(N(C(=NC(=C1)N=C(C(=P(C1=CC=CC=C1)(C1=CC=CC=C1)C=1C=CC=CC1)C(OC)=O)C(=O)OC)SC)C)=O
SPLASH splash10-03di-6691370000-0026cca03d66a4f3dddc
Source of Spectrum Y-59-SM28-12b (DOI: 10.1002/jhet.4487)
Thin-Layer Chromatography 0.48 (CH2Cl2/MeOH, 90:10)
Wiley ID 1892502