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

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

2-(allylthio)-4-(5-chloro-3-methylbenzo[b]thien-2-yl)pyrimidine
SpectraBase Compound ID IZ4UB7PpUUw
InChI InChI=1S/C16H13ClN2S2/c1-3-8-20-16-18-7-6-13(19-16)15-10(2)12-9-11(17)4-5-14(12)21-15/h3-7,9H,1,8H2,2H3
InChIKey YLLLJQSEWGSJGL-UHFFFAOYSA-N
Mol Weight 332.87 g/mol
Molecular Formula C16H13ClN2S2
Exact Mass 332.020868 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2I0SIgZJ9zI
Name 2-(ALLYLTHIO)-4-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)PYRIMIDINE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN2S2
InChI InChI=1S/C16H13ClN2S2/c1-3-8-20-16-18-7-6-13(19-16)15-10(2)12-9-11(17)4-5-14(12)21-15/h3-7,9H,1,8H2,2H3
InChIKey YLLLJQSEWGSJGL-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 123-125C
Molecular Weight 332.88
Solvent CDCl3; Reference=TMS; Temperature 297K