28166-41-8

2-氰基-4-羥基(28166-41-8)Raman光譜

產(chǎn)品名稱:2-氰基-4-羥基

CAS:28166-41-8

分子式:C10H7NO3

分子量: 189.17

InChI:InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)

InChIKey: AFVLVVWMAFSXCK-UHFFFAOYSA-N

Smiles:C(O)(=O)C(C#N)=CC1=CC=C(O)C=C1

Mass

MS-NW-8063          
alpha-cyano-4-hydroxycinnamic acid
C10H7NO3            (Mass of molecular ion:    189)

   Source Temperature: 190 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      17.0       1.0
      18.0       4.4
      26.0       1.4
      27.0       4.0
      28.0       3.1
      29.0       2.4
      37.0       3.0
      38.0       6.6
      39.0      24.7
      40.0       2.6
      41.0       1.3
      42.0       1.0
      43.0       2.8
      44.0      12.9
      45.0       6.0
      49.0       1.1
      50.0       7.6
      51.0      10.4
      52.0       5.2
      53.0       7.8
      54.0       1.0
      55.0       3.5
      57.5       1.6
      58.0       1.2
      61.0       6.1
      62.0      12.7
      63.0      21.9
      64.0       8.4
      65.0      14.5
      66.0       4.0
      67.0       1.3
      68.0       1.0
      72.0       1.8
      74.0       3.4
      75.0       4.4
      76.0       4.4
      77.0       8.0
      78.0       3.3
      79.0       1.6
      86.0       2.2
      87.0       4.3
      88.0       9.3
      89.0      36.8
      90.0      15.4
      91.0       3.8
      92.0       2.1
      93.0       2.3
      94.0       5.2
      94.5       1.2
      95.0       4.9
      99.0       1.7
     100.0       1.6
     101.0       1.2
     104.0       2.7
     105.0       3.4
     106.0       1.3
     107.0       1.5
     110.0       2.0
     114.0       4.5
     115.0       4.8
     116.0      15.3
     117.0      19.4
     118.0      17.1
     119.0       4.1
     121.0       4.5
     122.0       2.3
     123.0      15.8
     124.0       1.3
     126.0       1.5
     132.0       1.9
     133.0       2.0
     134.0       3.7
     143.0      24.9
     144.0      22.6
     145.0      28.4
     146.0       3.2
     160.0       1.2
     161.0       1.1
     162.0       5.1
     163.0       1.0
     171.0       1.5
     172.0      17.4
     173.0       2.0
     188.0      27.2
     189.0     100.0
     190.0      11.5
     191.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₇ N O₃	0.029 g : 0.5 ml DMSO-d₆
alpha-cyano-4-hydroxycinnamic acid

    Assign.     Shift(ppm)

      A     *1     13.6
      B     *1     10.8
      C             8.208
      D             7.992
      E             6.969

     Hz     ppm     Int.

   3280.52   8.209   1000
   3198.97   8.005    807
   3189.94   7.982    874
   2792.72   6.988    123
   2789.79   6.981    891
   2782.96   6.964    304
   2781.01   6.959    901

in DMSO-d6