2-Benzothiazolol(934-34-9) IR2
Product Name2-Benzothiazolol
CAS934-34-9
Molecular FormulaC7H5NOS
Molecular Weight151.19
InChIInChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey YEDUAINPPJYDJZ-UHFFFAOYSA-N
SmilesS1C2=CC=CC=C2NC1=O
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MassMS-IW-3916 2-benzothiazolol C7H5NOS (Mass of molecular ion: 151)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.6 37.0 1.5 38.0 2.2 39.0 3.2 45.0 4.9 50.0 2.1 51.0 3.3 52.0 3.7 58.0 1.2 61.0 1.3 61.5 6.4 62.0 2.2 63.0 4.5 64.0 2.2 69.0 7.8 70.0 5.7 71.0 1.3 75.5 4.4 78.0 2.4 79.0 1.4 82.0 1.8 91.0 1.3 93.0 1.2 95.0 4.0 96.0 47.5 97.0 3.8 98.0 2.3 106.0 1.7 108.0 1.3 122.0 6.2 123.0 46.9 124.0 4.0 125.0 2.4 150.0 1.3 151.0 100.0 152.0 9.2 153.0 5.1
400 MHz in CDCl3
in CDCl3
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1H NMR 399.65 MHz C7 H5 N O S 0.037 g : 0.5 ml CDCl3 2-benzothiazolol 
Assign. Shift(ppm)
A 10.63 B 7.388 C 7.265 D 7.189 E 7.139 CONFIRMED BY LAOCN PROGRAM, C-H COSY AND LONG-RENGE C-H COSY. J(B,C)=1.2HZ J(B,D)=0.6HZ J(B,E)=7.8HZ J(C,D)=8.1HZ J(C,E)=7.5HZ J(D,E)=1.4HZ
Hz ppm Int.4244.99 10.622 90 2957.76 7.401 598 2957.15 7.400 706 2956.54 7.398 789 2955.93 7.397 699 2953.80 7.391 57 2953.34 7.390 54 2952.58 7.388 53 2951.97 7.387 54 2949.98 7.382 655 2949.37 7.380 835 2948.61 7.378 848 2948.15 7.377 782 2913.51 7.291 360 2912.29 7.288 355 2909.70 7.281 34 2909.09 7.280 35 2906.04 7.272 552 2905.43 7.270 737 2904.82 7.269 679 2904.21 7.267 721 2898.10 7.252 793 2896.88 7.249 692 2877.20 7.200 682 2876.59 7.198 866 2875.82 7.196 1000 2875.37 7.195 906 2869.11 7.180 529 2868.50 7.178 604 2867.89 7.177 573 2867.28 7.175 546 2861.02 7.159 714 2859.80 7.156 590 2855.83 7.146 48 2853.70 7.141 687 2853.24 7.140 799 2852.33 7.138 708 2851.87 7.136 695 2845.76 7.121 470 2844.54 7.118 442
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in CDCl3
KBr disc
nujol mull
