2-Isobutyl-4-methylthiazole(61323-24-8) IR1
Product Name2-Isobutyl-4-methylthiazole
CAS61323-24-8
Molecular FormulaC8H13NS
Molecular Weight155.26
InChIInChI=1S/C8H13NS/c1-6(2)4-8-9-7(3)5-10-8/h5-6H,4H2,1-3H3
InChIKey JBUCYVMFLWLDIO-UHFFFAOYSA-N
SmilesS1C=C(C)N=C1CC(C)C
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MassMS-IW-5086 2-isobutyl-4-methylthiazole C8H13NS (Mass of molecular ion: 155)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.6 28.0 1.1 39.0 5.2 41.0 5.7 42.0 2.2 43.0 6.1 45.0 7.7 68.0 6.5 69.0 1.3 71.0 15.4 72.0 19.8 73.0 7.8 74.0 1.1 85.0 1.6 112.0 16.1 113.0 100.0 114.0 7.5 115.0 4.8 140.0 13.6 141.0 1.2 154.0 4.3 155.0 7.7 156.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H13 N S 0.05 ml : 0.5 ml CDCl3 2-isobutyl-4-methylthiazole 
Assign. Shift(ppm)
A 6.700 B 2.830 C 2.414 D 2.088 E 0.980 J(A,C)=-1.0HZ
Hz ppm Int.2679.08 6.704 111 2678.10 6.702 235 2677.12 6.699 229 2676.15 6.697 103 1134.64 2.840 434 1127.44 2.822 445 965.21 2.416 752 964.11 2.413 703 847.90 2.122 39 840.82 2.104 71 834.11 2.088 94 827.51 2.071 74 820.80 2.054 36 820.43 2.053 36 401.49 1.005 30 395.02 0.989 1000 392.46 0.983 82 388.31 0.972 959 381.59 0.955 25
in CDCl3
liquid film
