20686-62-8

2-甲基萘并[2,1-D]噻唑(20686-62-8)红外图谱(IR1)

产品名称:2-甲基萘并[2,1-D]噻唑

CAS:20686-62-8

分子式:C12H9NS

分子量: 199.27

InChI:InChI=1S/C12H9NS/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8/h2-7H,1H3

InChIKey: OCRIUIGNOKGMOR-UHFFFAOYSA-N

Smiles:S1C2=C3C(C=CC=C3)=CC=C2N=C1C

Mass

MS-NW-8221          
2-methylnaphtho(2,1-d)thiazole
C12H9NS             (Mass of molecular ion:    199)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      39.0       1.2
      45.0       1.6
      51.0       1.1
      62.0       1.3
      63.0       3.2
      66.0       1.4
      69.0       3.2
      74.0       1.2
      75.0       1.4
      77.5       2.2
      79.0      10.0
      79.5       1.2
      82.0       1.0
      87.0       1.5
      88.0       2.5
      89.0       1.1
      93.0       1.6
      99.5       5.4
     100.0       1.0
     113.0       7.1
     114.0      16.0
     115.0       5.0
     126.0       1.2
     127.0       1.1
     140.0       1.2
     143.0       1.1
     153.0       2.7
     154.0       2.4
     157.0       2.6
     158.0      24.7
     159.0       5.7
     160.0       1.5
     167.0       1.4
     171.0       2.2
     198.0      11.1
     199.0     100.0
     200.0      14.7
     201.0       5.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₉ N S	0.040 g : 0.5 ml CDCl₃
2-methylnaphtho(2,1-d)thiazole

    Assign.     Shift(ppm)

      A             7.970
      B     *1      7.91
      C     *1      7.89
      D             7.797
      E     *2      7.533
      F     *2      7.488
      G             2.867

     Hz     ppm     Int.

   3190.19   7.983    164
   3181.40   7.961    207
   3165.28   7.921     71
   3164.79   7.919     71
   3158.57   7.904     89
   3157.47   7.901    172
   3151.49   7.886     48
   3150.63   7.884     79
   3149.90   7.882     82
   3149.29   7.881     75
   3120.24   7.808    132
   3111.45   7.786    106
   3019.53   7.556     39
   3018.07   7.552     42
   3012.57   7.539     83
   3011.35   7.535     69
   3010.13   7.532     42
   3004.76   7.519     58
   3003.05   7.515     68
   2999.88   7.507     81
   2998.17   7.502     60
   2992.80   7.489     54
   2991.70   7.486     74
   2990.48   7.483     75
   2984.86   7.469     41
   2983.52   7.466     35
   1146.24   2.869   1000

in CDCl3