Carbimazole(22232-54-8) IR2
Product NameCarbimazole
CAS22232-54-8
Molecular FormulaC7H10N2O2S
Molecular Weight186.23
InChIInChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3
InChIKey CFOYWRHIYXMDOT-UHFFFAOYSA-N
SmilesC1(=S)N(C(OCC)=O)C=CN1C
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MassMS-NW-8000 ethyl 3-methyl-2-thioxo-4-imidazoline-1-carboxylate C7H10N2O2S (Mass of molecular ion: 186)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 9.5 17.0 1.6 18.0 6.4 26.0 3.7 27.0 23.1 28.0 11.8 29.0 62.6 30.0 3.6 40.0 5.3 41.0 7.0 42.0 43.4 43.0 2.5 44.0 3.1 45.0 9.7 46.0 1.7 52.0 2.2 53.0 2.0 54.0 9.6 55.0 16.6 56.0 17.3 57.0 2.2 58.0 2.8 59.0 3.5 60.0 2.2 68.0 5.8 69.0 16.8 70.0 2.0 71.0 5.0 72.0 46.3 73.0 4.5 74.0 3.7 79.0 1.0 80.0 1.8 81.0 27.7 82.0 9.9 83.0 4.2 84.0 2.1 85.0 1.4 86.0 10.8 87.0 2.0 95.0 1.5 97.0 1.2 99.0 2.8 107.0 1.3 109.0 25.6 110.0 2.2 112.0 1.2 113.0 48.8 114.0 100.0 115.0 8.7 116.0 4.5 127.0 9.4 141.0 8.7 142.0 2.2 186.0 75.4 187.0 8.0 188.0 4.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H10 N2 O2 S 0.027 g : 0.5 ml CDCl3 ethyl 3-methyl-2-thioxo-4-imidazoline-1-carboxylate 
Assign. Shift(ppm)
A 7.211 B 6.696 C 4.477 D 3.584 E 1.439 J(A,B)=2.8HZ
Hz ppm Int.2883.30 7.215 221 2880.49 7.208 225 2677.61 6.700 184 2674.93 6.694 181 1800.17 4.505 99 1792.97 4.487 299 1785.89 4.469 316 1778.81 4.451 101 1432.50 3.585 1000 582.40 1.458 299 575.20 1.440 630 568.12 1.422 307
in CDCl3
KBr disc
nujol mull
