2,5,6-Trimethylbenzothiazole(5683-41-0) MS
Product Name2,5,6-Trimethylbenzothiazole
CAS5683-41-0
Molecular FormulaC10H11NS
Molecular Weight177.27
InChIInChI=1S/C10H11NS/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3
InChIKey ZZLZXZFVVOXVRG-UHFFFAOYSA-N
SmilesS1C2=CC(C)=C(C)C=C2N=C1C
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MassMS-KW-0201 2,5,6-trimethylbenzothiazole C10H11NS (Mass of molecular ion: 177)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.4 28.0 1.3 39.0 4.9 41.0 1.3 45.0 3.2 50.0 1.4 51.0 4.3 52.0 1.2 53.0 1.2 59.0 2.1 63.0 2.5 65.0 4.4 67.0 2.2 69.0 5.3 70.0 1.5 71.0 1.3 75.0 1.0 77.0 4.9 78.0 1.0 82.0 1.1 83.0 1.0 87.5 1.3 88.5 5.0 89.0 2.6 90.0 1.3 91.0 13.2 92.0 7.3 93.0 1.7 95.0 1.3 102.0 1.8 103.0 1.2 118.0 1.1 121.0 9.4 122.0 1.0 132.0 1.1 134.0 6.3 135.0 16.5 136.0 13.3 137.0 2.0 144.0 2.6 149.0 1.0 162.0 55.6 163.0 6.2 164.0 2.9 175.0 1.2 176.0 36.0 177.0 100.0 178.0 13.5 179.0 5.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H11 N S 0.040 g : 0.05 ml CDCl3 2,5,6-trimethylbenzothiazole 
Assign. Shift(ppm)
A 7.698 B 7.525 C 2.776 D *1 2.357 E *1 2.334
Hz ppm Int.3076.66 7.699 181 3007.57 7.526 186 1109.50 2.777 1000 942.02 2.358 612 932.74 2.334 586
in CDCl3
Nujol
