4-Methylthiazole(693-95-8) Raman
Product Name4-Methylthiazole
CAS693-95-8
Molecular FormulaC4H5NS
Molecular Weight99.15
InChIInChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
InChIKey QMHIMXFNBOYPND-UHFFFAOYSA-N
SmilesS1C=C(C)N=C1
-
MassMS-NW-6431 4-methylthiazole C4H5NS (Mass of molecular ion: 99)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.0 26.0 2.3 27.0 4.1 28.0 3.1 32.0 1.2 37.0 2.0 38.0 2.8 39.0 14.3 40.0 1.2 43.0 1.3 44.0 1.4 45.0 21.9 46.0 2.4 47.0 1.1 51.0 1.0 52.0 1.1 54.0 1.3 57.0 1.8 58.0 1.8 68.0 1.0 69.0 5.4 70.0 1.8 71.0 74.2 72.0 44.9 73.0 5.0 74.0 2.1 98.0 2.1 99.0 100.0 100.0 6.1 101.0 4.8
parameter in CCl4
90 MHz in CDCl3
-
1H NMR 300 MHz C4 H5 N S in CCl4 4-methylthiazole 
Parameter ppm Hz
D(A) 8.64 D(B) 6.87 D(C) 2.47 J(A,B) 1.86 J(A,C) 0.28 J(B,C) 1.00 HAAKE,P. & MILLER,W.B. J.AM.CHEM.SOC. 85, 4044 (1963) THE COUPLING CONSTANTS WERE MEASURED IN NEAT SOLUTION.
Hz ppm Int.2592.94 8.643 263 2591.12 8.637 265 2063.36 6.878 68 2062.45 6.875 159 2061.47 6.872 204 2060.56 6.869 208 2059.65 6.865 159 2058.68 6.862 66 741.45 2.471 1000 740.60 2.469 999
-
1H NMR 89.56 MHz C4 H5 N S 0.05 ml : 0.5 ml CDCl3 4-methylthiazole Assign. Shift(ppm)
A 8.455 B 6.650 C 2.233 HPM-03-662 IN CCL4
Hz ppm Int.758.25 8.467 190 756.31 8.445 185 598.00 6.678 83 597.06 6.667 182 596.06 6.656 226 595.06 6.645 222 594.06 6.634 173 593.13 6.623 77 200.63 2.241 1000 199.63 2.230 930
in CDCl3
liquid film
