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
Mass
MS-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 |
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Parameter ppm Hz |
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 |
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Assign. Shift(ppm) |
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
4-Methylthiazole(693-95-8) MS Atlas of Related Products
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