41532-84-7

1,1,2-Trimethyl-1H-benz[e]indole(41532-84-7) IR2

Product Name1,1,2-Trimethyl-1H-benz[e]indole

CAS 41532-84-7

Molecular FormulaC15H15N

Molecular Weight209.29

InChIInChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3

InChIKey WJZSZXCWMATYFX-UHFFFAOYSA-N

SmilesN1C2=C(C3=CC=CC=C3C=C2)C(C)(C)C=1C

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1,1,2-Trimethyl-1H-benz[e]indole(41532-84-7) IR2
Mass

MS-IW-9537          
2,3,3-trimethyl-3H-benz(e)indole
C15H15N             (Mass of molecular ion:    209)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      39.0       1.5
      51.0       1.6
      63.0       3.3
      69.5       1.5
      74.0       1.1
      75.0       2.5
      75.5       1.3
      76.0       9.5
      76.5       1.7
      77.0       2.0
      81.5       1.5
      82.0       3.3
      82.5       2.9
      83.0       2.0
      83.5       1.4
      89.0       1.2
      90.5       6.2
      91.0       1.1
      95.5       1.4
      96.0       1.0
      96.5       6.1
      97.0       4.6
     102.0       1.0
     103.5       1.4
     104.5       3.0
     115.0       2.2
     126.0       2.4
     127.0       3.5
     128.0       2.4
     139.0       2.2
     141.0       1.1
     150.0       2.8
     151.0       7.8
     152.0      23.7
     153.0      27.2
     154.0       3.8
     163.0       1.6
     164.0       2.1
     165.0      11.6
     166.0       3.7
     167.0      11.2
     168.0       4.1
     177.0       1.1
     178.0       2.2
     179.0       1.7
     191.0       1.7
     192.0       2.9
     193.0       6.0
     194.0      62.2
     195.0       9.8
     207.0       1.8
     208.0      31.1
     209.0     100.0
     210.0      16.5
     211.0       1.3

400 MHz in CDCl3

1,1,2-Trimethyl-1H-benz[e]indole(41532-84-7) IR2

¹H NMR	399.65 MHz
C₁₅ H₁₅ N	0.041 g : 0.5 ml CDCl₃
2,3,3-trimethyl-3H-benz(e)indole

    Assign.     Shift(ppm)

      A             7.999
      B             7.925
      C             7.836
      D             7.779
      E             7.525
      F             7.424
      G             2.365
      J             1.520
     
     ASSIGNED BY C-H AND H-H COSY

     Hz     ppm     Int.

   3201.29   8.011     77
   3192.87   7.990     84
   3171.75   7.937     78
   3163.45   7.916     84
   3137.33   7.851     65
   3128.78   7.829    123
   3112.06   7.787    136
   3103.64   7.766     71
   3015.50   7.546     40
   3008.18   7.528     72
   3000.37   7.508     50
   2974.12   7.442     56
   2966.43   7.423     74
   2958.98   7.404     38
    945.31   2.366    558
    617.92   1.547     30
    607.67   1.521   1000

in CDCl3