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

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

4-(5-chloro-3-methylbenzo[b]thien-2-yl)-2-[(2-propynyl)thio]pyrimidine
SpectraBase Compound ID 27sDvKtBJfa
InChI InChI=1S/C16H11ClN2S2/c1-3-8-20-16-18-7-6-13(19-16)15-10(2)12-9-11(17)4-5-14(12)21-15/h1,4-7,9H,8H2,2H3
InChIKey HBKSPPWYCNDJRB-UHFFFAOYSA-N
Mol Weight 330.85 g/mol
Molecular Formula C16H11ClN2S2
Exact Mass 330.005218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OreKvxMEp6
Name 4-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-2-[(2-PROPYNYL)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 C16H11ClN2S2
InChI InChI=1S/C16H11ClN2S2/c1-3-8-20-16-18-7-6-13(19-16)15-10(2)12-9-11(17)4-5-14(12)21-15/h1,4-7,9H,8H2,2H3
InChIKey HBKSPPWYCNDJRB-UHFFFAOYSA-N
Melting Point 141-143C
Molecular Weight 330.86
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PYRIMIDINE, 4-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-2-[(2-PROPYNYL)THIO]-,