15679-13-7

2-异丙基-4-甲基噻唑(15679-13-7)质谱(MS)

产品名称:2-异丙基-4-甲基噻唑

CAS:15679-13-7

分子式:C7H11NS

分子量: 141.23

InChI:InChI=1S/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3

InChIKey: OFLXNHNYPQPQKW-UHFFFAOYSA-N

Smiles:S1C=C(C)N=C1C(C)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3487          
2-isopropyl-4-methylthiazole
C7H11NS             (Mass of molecular ion:    141)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       4.9
      28.0       2.3
      29.0       1.1
      38.0       1.3
      39.0      10.7
      40.0       1.2
      41.0       5.2
      42.0       5.9
      43.0       4.0
      45.0      16.8
      46.0       1.0
      47.0       1.5
      52.0       1.1
      53.0       1.2
      54.0       4.2
      55.0       4.7
      59.0       1.2
      68.0       1.5
      69.0       2.9
      70.0       1.4
      71.0      29.5
      72.0      24.9
      73.0      18.7
      74.0       1.8
      96.0       8.1
      99.0      10.4
     100.0       3.7
     113.0       2.9
     126.0     100.0
     127.0       8.2
     128.0       4.8
     140.0      18.8
     141.0      46.3
     142.0       5.2
     143.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₁ N S	0.05 ml : 0.5 ml CDCl₃
2-isopropyl-4-methylthiazole

    Assign.     Shift(ppm)

      A             6.694
      B             3.285
      C             2.409
      D             1.377

     Hz     ppm     Int.

   2676.76   6.698    120
   2675.78   6.696    270
   2674.68   6.693    271
   2673.71   6.691    133
   1326.78   3.320     50
   1319.95   3.303    123
   1312.99   3.286    163
   1306.03   3.268    126
   1299.19   3.251     54
    963.38   2.411    761
    962.28   2.408    757
    553.83   1.386   1000
    546.88   1.369    985

in CDCl3