4,5-Dimethylthiazole(3581-91-7) MS
Product Name4,5-Dimethylthiazole
CAS3581-91-7
Molecular FormulaC5H7NS
Molecular Weight113.18
InChIInChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKey UWSONZCNXUSTKW-UHFFFAOYSA-N
SmilesS1C(C)=C(C)N=C1
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MassMS-KW-0500 4,5-dimethylthiazole C5H7NS (Mass of molecular ion: 113)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.6 27.0 5.1 28.0 2.6 38.0 1.0 39.0 5.1 41.0 3.6 42.0 2.9 45.0 15.6 46.0 2.0 47.0 1.0 50.0 2.0 51.0 3.0 52.0 2.1 53.0 8.2 54.0 3.0 55.0 1.9 57.0 1.2 58.0 4.7 59.0 8.8 60.0 1.1 68.0 1.3 69.0 3.3 70.0 1.2 71.0 53.3 72.0 6.9 73.0 2.8 80.0 1.4 85.0 22.7 86.0 26.8 87.0 2.4 88.0 1.2 98.0 7.7 112.0 11.2 113.0 100.0 114.0 7.9 115.0 4.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H7 N S 0.05 ml : 0.5 ml CDCl3 4,5-dimethylthiazole 
Assign. Shift(ppm)
A 8.488 B *1 2.36 C *1 2.35
Hz ppm Int.3392.46 8.489 479 941.65 2.357 1000 940.92 2.355 988 938.23 2.348 950 937.50 2.346 815
in CDCl3
liquid film
