Thiazole(288-47-1) Raman
Molecular FormulaC3H3NS
Molecular Weight85.13
InChIInChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
InChIKey FZWLAAWBMGSTSO-UHFFFAOYSA-N
SmilesS1C=CN=C1
-
MassMS-IW-1900 thiazole C3H3NS (Mass of molecular ion: 85)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 3.6 26.0 2.9 28.0 2.6 29.0 1.0 32.0 3.1 38.0 1.2 39.0 1.0 40.0 1.5 44.0 2.8 45.0 9.5 46.0 1.6 51.0 1.3 56.0 1.8 57.0 16.3 58.0 80.0 59.0 3.9 60.0 3.8 85.0 100.0 86.0 5.0 87.0 5.0
parameter in CF3COOH
parameter in acetone
parameter in CDCl3
parameter in cyclohexane
-
1H NMR 300 MHz C3 H3 N S 5 mol% in CF3COOH thiazole 
Parameter ppm Hz
D(A) 9.97 D(B) 8.42 D(C) 8.23 J(A,B) 0.9 J(A,C) 2.2 J(B,C) 3.6 BAK,B. ET AL. SPECTROCHIM.ACTA 18, 741 (1962) THIAZOLIUM ION.
Hz ppm Int.2992.54 9.975 941 2991.67 9.972 992 2990.35 9.968 1000 2989.49 9.965 956 2528.29 8.428 870 2527.43 8.425 878 2524.69 8.416 997 2523.85 8.413 985 2471.84 8.239 883 2469.64 8.232 922 2468.25 8.227 834 2466.06 8.220 775
-
1H NMR 300 MHz C3 H3 N S ca 8 % in acetone thiazole Parameter ppm Hz
D(A) 9.00 D(B) 7.93 D(C) 7.65 J(A,B) 0. J(A,C) 2.1 J(B,C) 3.2 BORGEN,G. & GRONOWITZ,S. ACTA CHEM.SCAND. 20, 2593 (1966)
Hz ppm Int.2701.05 9.003 976 2698.96 8.997 986 2380.63 7.935 929 2377.44 7.925 1000 2297.62 7.659 520 2295.52 7.652 560 2294.42 7.648 532 2292.33 7.641 479
-
1H NMR 300 MHz C3 H3 N S in CDCl3 thiazole Parameter ppm Hz
D(A) 8.890 D(B) 7.993 D(C) 7.435 J(A,B) 0.0 J(A,C) 1.95 J(B,C) 3.15 VINCENT,E.J. ET AL. BULL.SOC.CHIM.FR. 1966, 3524
Hz ppm Int.2667.98 8.893 992 2666.04 8.887 1000 2399.49 7.998 957 2396.35 7.988 993 2233.04 7.443 519 2231.08 7.437 554 2229.90 7.433 541 2227.95 7.426 496
-
1H NMR 300 MHz C3 H3 N S 5 mol% in cyclohexane thiazole Parameter ppm Hz
D(A) 8.68 D(B) 7.83 D(C) 7.19 J(A,B) 0.0 J(A,C) 1.9 J(B,C) 3.2 BAK,B. ET AL. SPECTROCHIM.ACTA 18, 741 (1962)
Hz ppm Int.2604.95 8.683 992 2603.06 8.677 1000 2350.61 7.835 957 2347.43 7.825 989 2159.54 7.198 517 2157.64 7.192 547 2156.34 7.188 535 2154.46 7.182 497
liquid film
