4468-59-1

3-甲氧基-4-羥基苯乙腈(4468-59-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-甲氧基-4-羥基苯乙腈

CAS:4468-59-1

分子式:C9H9NO2

分子量: 163.17

InChI:InChI=1S/C9H9NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4H2,1H3

InChIKey: SDVYWMWQCJEYTC-UHFFFAOYSA-N

Smiles:C1(CC#N)=CC=C(O)C(OC)=C1

Mass

MS-NW-9921          
4-hydroxy-3-methoxyphenylacetonitrile
C9H9NO2             (Mass of molecular ion:    163)

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

      27.0       2.4
      28.0       1.5
      29.0       1.2
      31.0       1.0
      37.0       1.2
      38.0       2.7
      39.0       9.1
      40.0       1.2
      41.0       1.5
      43.0       1.3
      50.0       4.6
      51.0       9.7
      52.0       3.7
      53.0       4.0
      55.0       4.6
      62.0       2.0
      63.0       5.9
      64.0       6.9
      65.0      33.0
      66.0       4.0
      75.0       2.5
      76.0       4.4
      77.0       9.8
      78.0       2.4
      79.0       2.8
      80.0       1.1
      90.0       1.3
      91.0       3.5
      92.0      23.2
      93.0       3.8
      94.0       3.9
      95.0       1.0
     102.0       2.0
     103.0      18.5
     104.0       2.4
     105.0       2.4
     106.0       1.2
     107.0       3.1
     108.0       1.4
     111.0       1.2
     119.0       3.9
     120.0      23.9
     121.0       3.1
     122.0       1.8
     123.0       1.2
     130.0       1.1
     131.0      32.8
     132.0       9.9
     133.0       1.5
     135.0       1.0
     136.0       1.3
     137.0       2.8
     146.0       1.7
     147.0       2.8
     148.0      97.7
     149.0       9.0
     162.0       4.5
     163.0     100.0
     164.0      10.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ N O₂	0.035 g : 0.5 ml CDCl₃
4-hydroxy-3-methoxyphenylacetonitrile

    Assign.     Shift(ppm)

      A             6.887
      B             6.81
      C             6.79
      D             5.75
      E             3.889
      F             3.672

     Hz     ppm     Int.

   2757.45   6.900    122
   2749.39   6.880    175
   2721.92   6.811     85
   2719.97   6.806    142
   2717.29   6.800    103
   2715.21   6.794     51
   2709.35   6.780     58
   2708.62   6.778     40
   2707.28   6.775     43
   2297.73   5.750    273
   1554.32   3.890   1000
   1467.90   3.673    436
   1467.29   3.672    290

in CDCl3