2-(Trifluoromethyl)benzothiazole(14468-40-7) IR1
Product Name2-(Trifluoromethyl)benzothiazole
CAS14468-40-7
Molecular FormulaC8H4F3NS
Molecular Weight203.18
InChIInChI=1S/C8H4F3NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
InChIKey TWIPCCMPIAFOKZ-UHFFFAOYSA-N
SmilesS1C2=CC=CC=C2N=C1C(F)(F)F
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MassMS-NW-5598 2-(trifluoromethyl)benzothiazole C8H4F3NS (Mass of molecular ion: 203)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 1.5 37.0 1.5 38.0 2.1 39.0 4.0 45.0 2.9 50.0 2.6 51.0 1.3 58.0 5.0 61.0 1.0 62.0 2.0 63.0 7.2 64.0 2.4 69.0 19.5 70.0 1.1 74.0 1.3 75.0 1.7 81.0 2.0 82.0 8.2 90.0 2.1 93.0 1.1 102.0 1.7 107.0 2.0 108.0 29.8 109.0 2.4 110.0 1.4 113.0 1.3 133.0 1.4 134.0 3.6 153.0 13.1 154.0 1.2 184.0 7.4 203.0 100.0 204.0 10.0 205.0 5.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H4 F3 N S 0.04 ml : 0.5 ml CDCl3 2-(trifluoromethyl)benzothiazole 
Assign. Shift(ppm)
A 8.189 B 7.962 C 7.62 D 7.53
Hz ppm Int.739.00 8.252 230 738.44 8.246 247 736.31 8.222 254 735.06 8.208 242 733.69 8.193 177 730.88 8.161 263 729.56 8.147 334 728.88 8.139 351 719.06 8.029 284 718.38 8.022 276 716.88 8.005 284 714.13 7.974 206 713.13 7.963 302 711.88 7.949 366 709.63 7.924 471 708.94 7.916 427 705.63 7.879 112 690.63 7.712 91 688.38 7.687 265 683.44 7.632 839 681.63 7.611 809 681.25 7.607 741 677.63 7.567 1000 674.38 7.530 485 673.75 7.523 632 672.38 7.508 496 667.19 7.450 113
liquid film
