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4-(5-Chloro-3-methylbenzo[B]thien-2-yl)-2-[(p-methylbenzyl)thio]pyrimidine

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

4-(5-Chloro-3-methylbenzo[B]thien-2-yl)-2-[(p-methylbenzyl)thio]pyrimidine
SpectraBase Compound ID rf26JDvb0y
InChI InChI=1S/C21H17ClN2S2/c1-13-3-5-15(6-4-13)12-25-21-23-10-9-18(24-21)20-14(2)17-11-16(22)7-8-19(17)26-20/h3-11H,12H2,1-2H3
InChIKey FEMGWTCOGXJGFM-UHFFFAOYSA-N
Mol Weight 396.95 g/mol
Molecular Formula C21H17ClN2S2
Exact Mass 396.052169 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1GWdBsicWeN
Name 4-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-2-[(p-METHYLBENZYL)THIO]PYRIMIDINE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN2S2
InChI InChI=1S/C21H17ClN2S2/c1-13-3-5-15(6-4-13)12-25-21-23-10-9-18(24-21)20-14(2)17-11-16(22)7-8-19(17)26-20/h3-11H,12H2,1-2H3
InChIKey FEMGWTCOGXJGFM-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 147-149C
Molecular Weight 396.96
Solvent CDCl3; Reference=TMS; Temperature 297K