4'-chloro-2-[(4-hydroxy-5-isopentyl-6-methyl-2-pyrimidinyl)thio]acetophenone, dimethylcarbamate (ester)

SpectraBase Compound ID	Dz4NUFvjjUQ
InChI	InChI=1S/C21H26ClN3O3S/c1-13(2)6-11-17-14(3)23-20(24-19(17)28-21(27)25(4)5)29-12-18(26)15-7-9-16(22)10-8-15/h7-10,13H,6,11-12H2,1-5H3
InChIKey	ICVOXWRPSMOCJL-UHFFFAOYSA-N Google Search
Mol Weight	435.97 g/mol
Molecular Formula	C21H26ClN3O3S
Exact Mass	435.138341 g/mol

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SpectraBase Spectrum ID	IxnBhQcCcc9
Name	4'-CHLORO-2-[(4-HYDROXY-5-ISOPENTYL-6-METHYL-2-PYRIMIDINYL)THIO]ACETOPHENONE, DIMETHYLCARBAMATE (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/c1-13(2)6-11-17-14(3)23-20(24-19(17)28-21(27)25(4)5)29-12-18(26)15-7-9-16(22)10-8-15/h7-10,13H,6,11-12H2,1-5H3
InChIKey	ICVOXWRPSMOCJL-UHFFFAOYSA-N
Melting Point	113-116C
Molecular Weight	435.98
Solvent	Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms	ACETOPHENONE, 4'-CHLORO- 2-//4-HYDROXY-5-ISOPENTYL-6-METHYL- 2-PYRIMIDINYL/THIO/-, DIMETHYLCARBAMATE (ESTER)