2-Isopropyl-4-methyl thiazole(15679-13-7) MS
Product Name2-Isopropyl-4-methyl thiazole
CAS15679-13-7
Molecular FormulaC7H11NS
Molecular Weight141.23
InChIInChI=1S/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3
InChIKey OFLXNHNYPQPQKW-UHFFFAOYSA-N
SmilesS1C=C(C)N=C1C(C)C
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MassMS-IW-3487 2-isopropyl-4-methylthiazole C7H11NS (Mass of molecular ion: 141)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 4.9 28.0 2.3 29.0 1.1 38.0 1.3 39.0 10.7 40.0 1.2 41.0 5.2 42.0 5.9 43.0 4.0 45.0 16.8 46.0 1.0 47.0 1.5 52.0 1.1 53.0 1.2 54.0 4.2 55.0 4.7 59.0 1.2 68.0 1.5 69.0 2.9 70.0 1.4 71.0 29.5 72.0 24.9 73.0 18.7 74.0 1.8 96.0 8.1 99.0 10.4 100.0 3.7 113.0 2.9 126.0 100.0 127.0 8.2 128.0 4.8 140.0 18.8 141.0 46.3 142.0 5.2 143.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H11 N S 0.05 ml : 0.5 ml CDCl3 2-isopropyl-4-methylthiazole 
Assign. Shift(ppm)
A 6.694 B 3.285 C 2.409 D 1.377
Hz ppm Int.2676.76 6.698 120 2675.78 6.696 270 2674.68 6.693 271 2673.71 6.691 133 1326.78 3.320 50 1319.95 3.303 123 1312.99 3.286 163 1306.03 3.268 126 1299.19 3.251 54 963.38 2.411 761 962.28 2.408 757 553.83 1.386 1000 546.88 1.369 985
in CDCl3
liquid film
