15570-10-2

2-甲基-5-叔丁基噻吩(15570-10-2)核磁图(¹³CNMR)

产品名称:2-甲基-5-叔丁基噻吩

CAS:15570-10-2

分子式:C11H16S

分子量: 180.31

InChI:InChI=1S/C11H16S/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3

InChIKey: DUZJXKYBSMFDIU-UHFFFAOYSA-N

Smiles:C1(S)=CC=C(C(C)(C)C)C=C1C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5858          
4-tert-butyl-2-methylbenzenethiol
C11H16S             (Mass of molecular ion:    180)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       1.7
      29.0       1.9
      39.0       3.8
      41.0       6.6
      45.0       4.4
      51.0       2.1
      53.0       1.3
      55.0       1.0
      57.0       3.2
      59.0       1.1
      63.0       1.9
      65.0       2.3
      69.0       1.1
      73.0       6.3
      74.0       1.0
      77.0       3.2
      78.0       1.1
      79.0       1.4
      89.0       1.2
      91.0       7.6
      92.0       1.5
     103.0       1.2
     105.0       2.5
     115.0       4.6
     116.0       2.9
     117.0       3.3
     119.0       1.0
     123.0       3.6
     124.0       1.6
     125.0       6.9
     128.0       1.2
     129.0       1.4
     131.0       4.2
     132.0       5.6
     134.0       1.5
     135.0       1.3
     137.0      10.9
     138.0       1.5
     147.0       1.1
     149.0       2.0
     150.0       1.1
     151.0       1.3
     163.0       1.6
     164.0       1.5
     165.0     100.0
     166.0      12.2
     167.0       5.2
     179.0       2.2
     180.0      40.6
     181.0       5.5
     182.0       2.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₆ S	0.04 ml : 0.5 ml CDCl₃
4-tert-butyl-2-methylbenzenethiol

    Assign.     Shift(ppm)

      A             7.20
      B             7.17
      C             7.10
      D             3.19
      E             2.329
      F             1.281

     Hz     ppm     Int.

    642.25   7.172     77
    637.88   7.123     32
    285.75   3.191     56
    209.00   2.334    143
    208.56   2.329    148
    116.69   1.303     24
    116.19   1.298     23
    114.81   1.282   1000

in CDCl3