阿魏酸(1135-24-6)核磁圖(¹³CNMR)

產(chǎn)品名稱:阿魏酸

CAS:1135-24-6

分子式:C10H10O4

分子量: 194.18

InChI:InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)

InChIKey: KSEBMYQBYZTDHS-UHFFFAOYSA-N

Smiles:C(O)(=O)C=CC1=CC=C(O)C(OC)=C1

Mass

MS-NW-2343          
4-hydroxy-3-methoxycinnamic acid
C10H10O4            (Mass of molecular ion:    194)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.9
      17.0       1.7
      18.0       8.5
      27.0       2.4
      28.0       2.9
      29.0       1.7
      38.0       1.9
      39.0       5.6
      41.0       3.0
      43.0       2.0
      44.0       2.2
      45.0       2.2
      50.0       4.4
      51.0      11.1
      52.0       5.2
      53.0       4.2
      55.0       6.4
      61.0       1.1
      62.0       2.6
      63.0       5.6
      64.0       1.1
      65.0       3.8
      66.0       1.6
      67.0       5.1
      69.0       4.5
      74.0       1.2
      75.0       1.0
      76.0       1.3
      77.0      12.6
      78.0       6.2
      79.0       3.3
      81.0       2.1
      83.0       1.1
      89.0       7.6
      90.0       1.0
      91.0       2.5
      93.0       1.2
      94.0       1.0
      95.0       6.5
     105.0       8.6
     106.0       2.6
     107.0       7.6
     108.0       1.2
     109.0       2.8
     117.0       4.8
     118.0       1.6
     119.0       1.0
     123.0       6.1
     133.0      19.3
     134.0       6.0
     135.0       3.2
     137.0       1.4
     145.0       5.3
     147.0       1.0
     148.0       4.3
     149.0       3.9
     150.0       3.0
     151.0       6.4
     161.0       4.3
     163.0       1.1
     177.0       8.4
     178.0       1.4
     179.0      19.7
     180.0       2.0
     193.0       5.6
     194.0     100.0
     195.0      11.2
     196.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₀ O₄	0.040 g : 0.5 ml DMSO-d₆
4-hydroxy-3-methoxycinnamic acid

    Assign.     Shift(ppm)

      A            12.2
      B             9.57
      C             7.524
      D             7.302
      E             7.106
      F             6.819
      G             6.396
      J             3.838

     Hz     ppm     Int.

   4860.14  12.161     25
   3826.35   9.575     77
   3015.29   7.545    159
   2999.35   7.505    172
   2919.49   7.306    170
   2917.48   7.301    174
   2845.31   7.120     88
   2843.48   7.115     85
   2837.07   7.099    100
   2835.23   7.095     95
   2729.18   6.829    217
   2721.12   6.809    205
   2563.78   6.416    221
   2548.03   6.376    202
   1534.02   3.839   1000

in DMSO-d6