13117-94-7

6-tert-Butyl-o-toluidine(13117-94-7) IR2

Product Name6-tert-Butyl-o-toluidine

CAS 13117-94-7

Molecular FormulaC11H17N

Molecular Weight163.26

InChIInChI=1S/C11H17N/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7H,12H2,1-4H3

InChIKey GWIUAENVORNODL-UHFFFAOYSA-N

SmilesC1(N)=C(C)C=CC=C1C(C)(C)C

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6-tert-Butyl-o-toluidine(13117-94-7) IR2
Mass

MS-NW-2242          
2-tert-butyl-6-methylaniline
C11H17N             (Mass of molecular ion:    163)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       1.4
      28.0       1.3
      29.0       1.1
      39.0       2.9
      41.0       2.8
      42.0       1.0
      51.0       1.9
      52.0       1.0
      53.0       1.6
      63.0       1.0
      65.0       2.4
      74.0       1.0
      77.0       3.7
      78.0       1.1
      79.0       1.7
      91.0       4.9
      93.0       1.8
     103.0       1.1
     105.0       1.3
     106.0       3.1
     107.0       6.9
     108.0       6.4
     115.0       3.5
     116.0       3.1
     117.0       3.1
     118.0       1.2
     120.0      17.1
     121.0       2.6
     128.0       1.1
     129.0       1.3
     130.0       2.4
     131.0       2.3
     132.0       2.8
     133.0       6.1
     134.0       1.0
     146.0       2.3
     147.0       1.9
     148.0     100.0
     149.0      13.0
     163.0      39.2
     164.0       5.3

90 MHz in CDCl3

6-tert-Butyl-o-toluidine(13117-94-7) IR2

¹H NMR	89.56 MHz
C₁₁ H₁₇ N	0.04 ml : 0.5 ml CDCl₃
2-tert-butyl-6-methylaniline

    Assign.     Shift(ppm)

      A             7.14
      B             6.95
      C             6.67
      D             3.8
      E             2.17
      F             1.429

     Hz     ppm     Int.

    620.49   6.929     22
    603.35   6.737     29
    595.75   6.652     32
    194.30   2.170    156
    129.68   1.448     28
    127.94   1.429   1000

in CDCl3