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

View entire compound with spectra: 2 NMR, and 1 FTIR

4'-chloro-2-[(4-hydroxy-5-isopentyl-6-methyl-2-pyrimidinyl)thio]acetophenone
SpectraBase Compound ID HeBBwC3WBfE
InChI InChI=1S/C18H21ClN2O2S/c1-11(2)4-9-15-12(3)20-18(21-17(15)23)24-10-16(22)13-5-7-14(19)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,20,21,23)
InChIKey KVCAWVYRZLEJJV-UHFFFAOYSA-N
Mol Weight 364.89 g/mol
Molecular Formula C18H21ClN2O2S
Exact Mass 364.101227 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KWRJ3bzAogl
Name 4'-CHLORO-2-[(4-HYDROXY-5-ISOPENTYL-6-METHYL-2-PYRIMIDINYL)THIO]ACETOPHENONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClN2O2S
InChI InChI=1S/C18H21ClN2O2S/c1-11(2)4-9-15-12(3)20-18(21-17(15)23)24-10-16(22)13-5-7-14(19)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,20,21,23)
InChIKey KVCAWVYRZLEJJV-UHFFFAOYSA-N
Melting Point 181-185C
Molecular Weight 364.90
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETOPHENONE, 4'-CHLORO- 2-//4-HYDROXY-5-ISOPENTYL-6-METHYL- 2-PYRIMIDINYL/THIO/-,