288-47-1

噻唑(288-47-1)質(zhì)譜(MS)

產(chǎn)品名稱:噻唑

CAS:288-47-1

分子式:C3H3NS

分子量: 85.13

InChI:InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H

InChIKey: FZWLAAWBMGSTSO-UHFFFAOYSA-N

Smiles:S1C=CN=C1

¹HNMR

IR1

Raman

Mass

MS-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