15679-12-6

2-乙基-4-甲基噻唑(15679-12-6)质谱(MS)

产品名称:2-乙基-4-甲基噻唑

CAS:15679-12-6

分子式:C6H9NS

分子量: 127.21

InChI:InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3

InChIKey: VGRVKVGGUPOCMT-UHFFFAOYSA-N

Smiles:S1C=C(C)N=C1CC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7352          
2-ethyl-4-methylthiazole
C6H9NS              (Mass of molecular ion:    127)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.4
      27.0       5.0
      28.0       6.5
      29.0       2.1
      38.0       1.7
      39.0      14.6
      40.0       1.4
      41.0       2.3
      42.0       5.8
      45.0      20.7
      46.0       1.5
      47.0       1.5
      52.0       1.4
      54.0       2.8
      56.0       3.8
      57.0       1.0
      58.0       1.2
      59.0       1.1
      68.0       1.9
      69.0       4.3
      70.0       1.9
      71.0      61.5
      72.0      71.5
      73.0      10.3
      74.0       3.5
      82.0       7.4
      85.0       1.7
      99.0       5.2
     100.0       2.0
     112.0      17.9
     113.0       1.3
     126.0      70.1
     127.0     100.0
     128.0      11.1
     129.0       4.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₉ N S	0.05 ml : 0.5 ml CDCl₃
2-ethyl-4-methylthiazole

    Assign.     Shift(ppm)

      A             6.695
      B             2.992
      C             2.410
      D             1.367

     Hz     ppm     Int.

   2676.27   6.697    347
   2675.29   6.695    341
   1207.40   3.022    165
   1199.83   3.003    452
   1192.26   2.984    461
   1184.69   2.965    179
    963.13   2.410   1000
    962.04   2.408    915
    553.83   1.386    527
    546.26   1.367    880
    538.57   1.348    498

in CDCl3