5-Methoxy-2-methylbenzothiazole(2941-69-7) IR1
Product Name5-Methoxy-2-methylbenzothiazole
CAS2941-69-7
Molecular FormulaC9H9NOS
Molecular Weight179.24
InChIInChI=1S/C9H9NOS/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
InChIKey SAQMNBWVOKYKPZ-UHFFFAOYSA-N
SmilesS1C2=CC=C(OC)C=C2N=C1C
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MassMS-KW-0202 5-methoxy-2-methylbenzothiazole C9H9NOS (Mass of molecular ion: 179)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.1 28.0 1.2 39.0 1.3 45.0 10.9 50.0 1.1 51.0 2.6 59.0 1.1 62.0 2.2 63.0 6.3 69.0 11.4 70.0 1.6 79.0 1.3 89.5 3.2 93.0 1.7 95.0 15.5 96.0 1.7 107.0 1.7 108.0 1.4 109.0 1.9 123.0 20.1 124.0 1.6 125.0 1.0 136.0 23.5 137.0 2.3 138.0 1.6 148.0 2.2 149.0 3.1 150.0 2.4 164.0 56.3 165.0 5.7 166.0 2.9 178.0 1.1 179.0 100.0 180.0 11.5 181.0 5.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 N O S 0.038 g : 0.5 ml CDCl3 5-methoxy-2-methylbenzothiazole 
Assign. Shift(ppm)
A 7.642 B 7.448 C 6.981 D 3.863 E 2.800
Hz ppm Int.3058.96 7.655 163 3058.59 7.654 166 3049.80 7.632 173 2977.78 7.451 154 2975.34 7.445 155 2795.65 6.996 112 2793.09 6.989 106 2786.87 6.974 104 2784.42 6.968 100 1543.82 3.863 1000 1122.31 2.809 35 1119.02 2.800 995
in CDCl3
KBr disk
Nujol
