4-ETHYNYLANILINE(14235-81-5) IR1

Product Name4-ETHYNYLANILINE

CAS 14235-81-5

Molecular FormulaC8H7N

Molecular Weight117.15

InChIInChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2

InChIKey JXYITCJMBRETQX-UHFFFAOYSA-N

SmilesC1(N)=CC=C(C#C)C=C1

Request For Quotation

Mass

MS-IW-9466          
p-ethynylaniline
C8H7N               (Mass of molecular ion:    117)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       3.0
      37.0       1.1
      38.0       1.9
      39.0       4.7
      40.0       1.5
      41.0       2.8
      45.5       1.3
      50.0       2.6
      51.0       2.9
      52.0       3.4
      54.0       1.1
      57.5       1.2
      58.5       7.3
      61.0       2.5
      62.0       5.1
      63.0       9.9
      64.0       3.8
      65.0       2.1
      66.0       1.1
      67.0       1.2
      74.0       2.3
      75.0       1.7
      76.0       1.1
      78.0       1.1
      87.0       1.1
      88.0       1.5
      89.0      29.6
      90.0      15.9
      91.0       2.6
     116.0       9.7
     117.0     100.0
     118.0       9.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ N	0.039 g : 0.5 ml CDCl₃
p-ethynylaniline

    Assign.     Shift(ppm)

      A             7.284
      B             6.564
      C             3.80
      D             2.964

     Hz     ppm     Int.

   2917.85   7.302    131
   2915.41   7.295    648
   2913.57   7.291    268
   2911.13   7.285     80
   2908.81   7.279    268
   2906.86   7.274    678
   2904.54   7.268    121
   2630.00   6.581    141
   2627.69   6.575    746
   2625.73   6.571    291
   2621.09   6.559    275
   2619.02   6.554    697
   2616.70   6.548    115
   1519.78   3.803    181
   1184.81   2.965   1000

in CDCl3