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4'-chloro-2-[(4-hydroxy-5-methyl-6-propyl-2-pyrimidinyl)thio]acetophenone, diethyl carbamate (ester)
SpectraBase Compound ID 95tC1KKI7b9
InChI InChI=1S/C21H26ClN3O3S/c1-5-8-17-14(4)19(28-21(27)25(6-2)7-3)24-20(23-17)29-13-18(26)15-9-11-16(22)12-10-15/h9-12H,5-8,13H2,1-4H3
InChIKey YGYUPBDLUXIUTK-UHFFFAOYSA-N
Mol Weight 435.97 g/mol
Molecular Formula C21H26ClN3O3S
Exact Mass 435.138341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID M6PVe9V45w
Name 4'-CHLORO-2-[(4-HYDROXY-5-METHYL-6-PROPYL-2-PYRIMIDINYL)THIO]ACETOPHENONE, DIETHYL CARBAMATE (ESTER)
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26ClN3O3S
InChI InChI=1S/C21H26ClN3O3S/c1-5-8-17-14(4)19(28-21(27)25(6-2)7-3)24-20(23-17)29-13-18(26)15-9-11-16(22)12-10-15/h9-12H,5-8,13H2,1-4H3
InChIKey YGYUPBDLUXIUTK-UHFFFAOYSA-N
Melting Point 83-84C
Molecular Weight 435.98
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETOPHENONE, 4'-CHLORO-2-[(4-HYDROXY-5-METHYL-6-PROPYL-2-PYRIMIDINYL)THIO]-, DIETHYL CARBAMATE (ESTER)