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4-(5-chloro-3-methylbenzo[b]thien-2-yl)-2-[(p-fluorobenzyl)thio]pyrimidine

View entire compound with spectra: 3 NMR, and 1 FTIR

4-(5-chloro-3-methylbenzo[b]thien-2-yl)-2-[(p-fluorobenzyl)thio]pyrimidine
SpectraBase Compound ID 6QcCUsNIREx
InChI InChI=1S/C20H14ClFN2S2/c1-12-16-10-14(21)4-7-18(16)26-19(12)17-8-9-23-20(24-17)25-11-13-2-5-15(22)6-3-13/h2-10H,11H2,1H3
InChIKey CHCZNEHFBGMUOA-UHFFFAOYSA-N
Mol Weight 400.92 g/mol
Molecular Formula C20H14ClFN2S2
Exact Mass 400.027097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GnwcOvv2WZU
Name 4-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-2-[(p-FLUOROBENZYL)THIO]PYRIMIDINE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14ClFN2S2
InChI InChI=1S/C20H14ClFN2S2/c1-12-16-10-14(21)4-7-18(16)26-19(12)17-8-9-23-20(24-17)25-11-13-2-5-15(22)6-3-13/h2-10H,11H2,1H3
InChIKey CHCZNEHFBGMUOA-UHFFFAOYSA-N
Melting Point 155-157C
Molecular Weight 436.38
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PYRIMIDINE, 4-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-2-[(p-FLUOROBENZYL)THIO)-,