7340-90-1

2-甲基-5-叔丁基噻吩(7340-90-1)紅外圖譜(IR1)

產(chǎn)品名稱:2-甲基-5-叔丁基噻吩

CAS:7340-90-1

分子式:C11H16S

分子量: 180.31

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

InChIKey: ZSBNXOIAJFVXMP-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7191          
5-tert-butyl-2-methylbenzenethiol
C11H16S             (Mass of molecular ion:    180)

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

      27.0       1.0
      29.0       1.2
      39.0       3.0
      41.0       5.2
      45.0       3.9
      51.0       2.0
      53.0       1.3
      55.0       1.0
      57.0       1.9
      63.0       1.6
      64.0       1.1
      65.0       2.2
      68.5       1.2
      69.0       1.0
      73.0       7.3
      74.0       1.1
      75.0       1.1
      77.0       3.6
      78.0       1.1
      79.0       1.4
      81.5       1.0
      82.5       2.2
      89.0       1.4
      91.0       8.5
      92.0       1.8
     103.0       1.3
     105.0       2.6
     115.0       5.5
     116.0       3.5
     117.0       3.7
     121.0       1.0
     123.0       4.2
     124.0       1.6
     125.0       8.6
     127.0       1.0
     128.0       1.7
     129.0       1.8
     130.0       1.2
     131.0       6.6
     132.0       6.0
     133.0       1.0
     134.0       1.8
     135.0       1.2
     137.0      13.4
     138.0       1.6
     147.0       1.4
     149.0       3.3
     150.0       1.2
     163.0       1.8
     164.0       2.5
     165.0     100.0
     166.0      11.8
     167.0       5.0
     179.0       3.1
     180.0      39.9
     181.0       5.3
     182.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₆ S	0.05 ml : 0.5 ml CDCl₃
5-tert-butyl-2-methylbenzenethiol

    Assign.     Shift(ppm)

      A             7.281
      B             7.09
      C             7.07
      D             3.25
      E             2.280
      F             1.275
     
     CONFIRMED BY LAOCN PROGRAM

     Hz     ppm     Int.

   2911.62   7.286     86
   2909.91   7.282     93
   2864.99   7.169     44
   2839.36   7.105     25
   2837.52   7.101     21
   2831.42   7.085    117
   2829.59   7.081    124
   2827.03   7.074    126
   2819.09   7.054     25
   1299.93   3.253    174
    911.13   2.280    412
    516.48   1.293     32
    509.52   1.275   1000

in CDCl3