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4'-chloro-2-[(4-hydroxy-5-methyl-6-propyl-2-pyrimidinyl)thio]acetophenone, O-ester with O,O-diethyl phosphorothioate
SpectraBase Compound ID 8RsdSNoGpRv
InChI InChI=1S/C20H26ClN2O4PS2/c1-5-8-17-14(4)19(27-28(29,25-6-2)26-7-3)23-20(22-17)30-13-18(24)15-9-11-16(21)12-10-15/h9-12H,5-8,13H2,1-4H3
InChIKey LIYXYGGXLSOWSQ-UHFFFAOYSA-N
Mol Weight 488.98 g/mol
Molecular Formula C20H26ClN2O4PS2
Exact Mass 488.076014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVHzKGPHde4
Name 4'-CHLORO-2-[(4-HYDROXY-5-METHYL-6-PROPYL-2-PYRIMIDINYL)THIO]ACETOPHENONE, O-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26ClN2O4PS2
InChI InChI=1S/C20H26ClN2O4PS2/c1-5-8-17-14(4)19(27-28(29,25-6-2)26-7-3)23-20(22-17)30-13-18(24)15-9-11-16(21)12-10-15/h9-12H,5-8,13H2,1-4H3
InChIKey LIYXYGGXLSOWSQ-UHFFFAOYSA-N
Melting Point 58-60C
Molecular Weight 489.00
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETOPHENONE, 4'-CHLORO-2-[(4-HYDROXY-5-METHYL-6-PROPYL-2-PYRIMIDINYL)THIO]-, O-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE