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

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

2-[(o-chlorobenzyl)thio]-4-(5-chloro-3-methylbenzo[b]thien-2-yl)pyrimidine
SpectraBase Compound ID HJoUK5XnxoJ
InChI InChI=1S/C20H14Cl2N2S2/c1-12-15-10-14(21)6-7-18(15)26-19(12)17-8-9-23-20(24-17)25-11-13-4-2-3-5-16(13)22/h2-10H,11H2,1H3
InChIKey ZKZXQMOJECKTEW-UHFFFAOYSA-N
Mol Weight 417.37 g/mol
Molecular Formula C20H14Cl2N2S2
Exact Mass 415.997546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SaTZRWQIAK
Name 2-[(o-CHLOROBENZYL)THIO]-4-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)PYRIMIDINE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14Cl2N2S2
InChI InChI=1S/C20H14Cl2N2S2/c1-12-15-10-14(21)6-7-18(15)26-19(12)17-8-9-23-20(24-17)25-11-13-4-2-3-5-16(13)22/h2-10H,11H2,1H3
InChIKey ZKZXQMOJECKTEW-UHFFFAOYSA-N
Melting Point 162-164C
Molecular Weight 412.38
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PYRIMIDINE, 2-[(o-CHLOROBENZYL)THIO]-4-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-,