1076-74-0

5-甲氧基-2-甲基吲哚(1076-74-0)質(zhì)譜(MS)

產(chǎn)品名稱:5-甲氧基-2-甲基吲哚

CAS:1076-74-0

分子式:C10H11NO

分子量: 161.2

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

InChIKey: VSWGLJOQFUMFOQ-UHFFFAOYSA-N

Smiles:N1C2=C(C=C(OC)C=C2)C=C1C

Mass

MS-IW-0087          
5-methoxy-2-methylindole
C10H11NO            (Mass of molecular ion:    161)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.8
      39.0       3.6
      42.0       1.1
      50.0       2.3
      51.0       3.7
      52.0       3.2
      53.0       1.2
      62.0       1.7
      63.0       3.8
      64.0       1.8
      65.0       3.8
      74.0       1.0
      75.0       1.6
      76.0       2.8
      77.0       4.4
      78.0       3.9
      80.5       3.3
      89.0       4.3
      90.0       4.4
      91.0       7.8
      92.0       1.0
     102.0       1.7
     103.0       3.1
     104.0       1.1
     116.0       2.8
     117.0      18.5
     118.0      55.0
     119.0       5.1
     128.0       1.2
     130.0       5.0
     131.0       1.2
     132.0       3.4
     145.0       3.4
     146.0      66.9
     147.0       7.7
     160.0       7.8
     161.0     100.0
     162.0      11.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₁ N O	0.034 g : 0.5 ml CDCl₃
5-methoxy-2-methylindole

    Assign.     Shift(ppm)

      A             7.67
      B             7.089
      C             6.991
      D             6.757
      E             6.125
      F             3.819
      G             2.345

     Hz     ppm     Int.

   3065.80   7.672     21
   2837.65   7.101    104
   2828.98   7.079    118
   2795.41   6.995    115
   2792.97   6.989    123
   2706.05   6.772    101
   2703.49   6.765     97
   2697.27   6.750     90
   2694.82   6.743     87
   2450.07   6.131     70
   2449.10   6.129    106
   2448.00   6.126    110
   2447.02   6.123    104
   2446.04   6.121     68
   1526.61   3.820   1000
    938.11   2.348    541
    937.26   2.346    531

in CDCl3