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1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-2-(methylthio)-1,4,5,6-tetrahydropyrimidine

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

1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-2-(methylthio)-1,4,5,6-tetrahydropyrimidine
SpectraBase Compound ID I9M5uymQp90
InChI InChI=1S/C16H16ClN3O2S/c1-10-13(15(21)20-9-5-8-18-16(20)23-2)14(19-22-10)11-6-3-4-7-12(11)17/h3-4,6-7H,5,8-9H2,1-2H3
InChIKey GTVQLFUTUIBSSP-UHFFFAOYSA-N
Mol Weight 349.84 g/mol
Molecular Formula C16H16ClN3O2S
Exact Mass 349.065176 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4qgCUbBuDuC
Name 1-{[3-(o-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]CARBONYL-2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16ClN3O2S
InChI InChI=1S/C16H16ClN3O2S/c1-10-13(15(21)20-9-5-8-18-16(20)23-2)14(19-22-10)11-6-3-4-7-12(11)17/h3-4,6-7H,5,8-9H2,1-2H3
InChIKey GTVQLFUTUIBSSP-UHFFFAOYSA-N
Molecular Weight 349.84
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20