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2,6-dimethylbenzothiazole(2941-71-1) 1H NMR
Product Name2,6-dimethylbenzothiazole
CAS2941-71-1
Molecular FormulaC9H9NS
Molecular Weight163.24
InChIInChI=1S/C9H9NS/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5H,1-2H3
InChIKey JEKCSLMWKCKDCC-UHFFFAOYSA-N
SmilesS1C2=CC(C)=CC=C2N=C1C
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Parameter ppm Hz
D(A) 7.77 D(B) 7.25 D(C) 7.77 J(A,B) 8.37 J(A,C) 0.59 J(B,C) 1.74 D(D) 2.35 D(E) 2.74 KATRITZKY,A.R. & TAKEUCHI,Y. ORG.MAGN.RESON. 2, 569 (1970)Spectral Code: 1H NMR : parameter in DMSO-d6
