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3,3-dimethyl-1-{[4-hydroxy-6-methyl-5-(2-methylallyl)-2-pyrimidinyl]thio}-2-butanone, o,o-diethyl phosphorothioate (ester)

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3,3-dimethyl-1-{[4-hydroxy-6-methyl-5-(2-methylallyl)-2-pyrimidinyl]thio}-2-butanone, o,o-diethyl phosphorothioate (ester)
SpectraBase Compound ID 4yJAabmR4Ji
InChI InChI=1S/C19H31N2O4PS2/c1-9-23-26(27,24-10-2)25-17-15(11-13(3)4)14(5)20-18(21-17)28-12-16(22)19(6,7)8/h3,9-12H2,1-2,4-8H3
InChIKey AMSMHLBEKSIMNJ-UHFFFAOYSA-N
Mol Weight 446.56 g/mol
Molecular Formula C19H31N2O4PS2
Exact Mass 446.146287 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HEMe7Mf1QQ6
Name 3,3-DIMETHYL-1-{[4-HYDROXY-6-METHYL-5-(2-METHYLALLYL)-2-PYRIMIDINYL]THIO}-2-BUTANONE, O,O-DIETHYL PHOSPHOROTHIOATE (ESTER)
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31N2O4PS2
InChI InChI=1S/C19H31N2O4PS2/c1-9-23-26(27,24-10-2)25-17-15(11-13(3)4)14(5)20-18(21-17)28-12-16(22)19(6,7)8/h3,9-12H2,1-2,4-8H3
InChIKey AMSMHLBEKSIMNJ-UHFFFAOYSA-N
Melting Point 46-49C
Molecular Weight 446.57
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2-BUTANONE, 3,3-DIMETHYL- 1-//4-HYDROXY-6-METHYL-5-/2-METHYLALLYL/-2-PYRIMIDINYL/THIO/-, O,O-DIETHYL PHOSPHOROTHIOATE (ESTER)