4-Hydroxy-3-methoxybenzonitrile(4421-08-3) ¹³C NMR

Product Name4-Hydroxy-3-methoxybenzonitrile

CAS 4421-08-3

Molecular FormulaC8H7NO2

Molecular Weight149.15

InChIInChI=1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3

InChIKey QJRWLNLUIAJTAD-UHFFFAOYSA-N

SmilesC(#N)C1=CC=C(O)C(OC)=C1

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Mass

MS-NW-7649          
4-hydroxy-3-methoxybenzonitrile
C8H7NO2             (Mass of molecular ion:    149)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.6
      18.0       1.0
      26.0       2.6
      27.0       4.2
      28.0       4.2
      29.0       2.8
      31.0       1.5
      37.0       3.4
      38.0       3.6
      39.0       3.7
      49.0       1.2
      50.0       6.5
      51.0      17.0
      52.0       6.9
      53.0       4.4
      54.0       1.2
      55.0       1.5
      61.0       1.7
      62.0       3.8
      63.0       7.3
      64.0       4.2
      65.0       2.4
      66.0       1.1
      75.0       2.2
      76.0       3.9
      77.0       6.4
      78.0       4.5
      79.0       2.4
      88.0       1.3
      89.0       1.2
      90.0       1.6
      92.0       1.4
      93.0       1.1
     106.0      50.7
     107.0       3.9
     120.0       1.1
     134.0     100.0
     135.0       8.6
     149.0      91.7
     150.0       8.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ N O₂	0.041 g : 0.5 ml CDCl₃
4-hydroxy-3-methoxybenzonitrile

    Assign.     Shift(ppm)

      A             7.226
      B             7.093
      C             6.964
      D             6.38
      E             3.927

     Hz     ppm     Int.

   2893.43   7.240    121
   2891.60   7.236    139
   2885.13   7.220    135
   2883.30   7.215    156
   2835.94   7.097    199
   2834.11   7.092    211
   2786.87   6.974    233
   2778.56   6.953    203
   2551.76   6.385    260
   1569.46   3.928   1000

in CDCl3