7556-35-6

4-甲氧基-1-甲基吲哚(7556-35-6)Raman光谱

产品名称:4-甲氧基-1-甲基吲哚

CAS:7556-35-6

分子式:C10H11NO

分子量: 161.2

InChI:InChI=1S/C10H11NO/c1-11-7-6-8-9(11)4-3-5-10(8)12-2/h3-7H,1-2H3

InChIKey: ATEWBFOJLQMYEA-UHFFFAOYSA-N

Smiles:N1(C)C2=C(C(OC)=CC=C2)C=C1

Mass

MS-NW-7627          
4-methoxy-1-methylindole
C10H11NO            (Mass of molecular ion:    161)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.4
      28.0       1.1
      38.0       1.1
      39.0       2.7
      41.0       1.4
      42.0       3.6
      50.0       2.9
      51.0       4.5
      52.0       1.1
      62.0       2.3
      63.0       4.1
      64.0       1.4
      65.0       3.5
      74.0       1.3
      75.0       1.9
      76.0       3.9
      77.0       5.3
      78.0       1.2
      80.5       4.9
      88.0       1.0
      89.0       4.3
      90.0       2.7
      91.0       5.0
     102.0       1.6
     103.0       3.6
     116.0       2.3
     117.0       6.7
     118.0      38.4
     119.0       4.5
     130.0       3.4
     131.0       1.5
     132.0       2.4
     145.0       1.3
     146.0      75.0
     147.0       8.0
     160.0       2.8
     161.0     100.0
     162.0      11.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₁ N O	0.036 g : 0.5 ml CDCl₃
4-methoxy-1-methylindole

    Assign.     Shift(ppm)

      A             7.13
      B             6.934
      C             6.916
      D             6.58
      E             6.51
      F             3.931
      G             3.711
     
     J(C,D)=3.1HZ
     J(B,D)=0.7HZ

     Hz     ppm     Int.

    647.38   7.229     46
    647.25   7.228     46
    639.38   7.140    101
    631.75   7.054    123
    624.50   6.973     98
    623.63   6.964    150
    622.75   6.954    116
    621.13   6.936    140
    618.00   6.901    159
    616.38   6.883     63
    615.56   6.874     69
    614.63   6.863     45
    590.56   6.595    129
    589.81   6.586    128
    587.38   6.559    140
    586.75   6.552    195
    585.75   6.541    115
    579.19   6.468     79
    578.25   6.457     75
    352.13   3.932    966
    332.44   3.712   1000

in CDCl3