306-08-1

高香草酸(306-08-1)质谱(MS)

产品名称:高香草酸

CAS:306-08-1

分子式:C9H10O4

分子量: 182.17

InChI:InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)

InChIKey: QRMZSPFSDQBLIX-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-2063          
4-hydroxy-3-methoxyphenylacetic acid
C9H10O4             (Mass of molecular ion:    182)

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

      15.0       1.1
      18.0       1.6
      27.0       1.6
      28.0       1.4
      38.0       1.1
      39.0       6.1
      40.0       1.6
      41.0       1.7
      43.0       1.3
      45.0       1.7
      50.0       1.7
      51.0       5.2
      52.0       1.5
      53.0       1.7
      55.0       3.4
      63.0       1.2
      65.0       4.4
      66.0       3.7
      67.0       2.0
      77.0       4.3
      78.0       1.6
      79.0       1.3
      94.0       8.0
      95.0       2.4
     105.0       1.5
     106.0       1.1
     107.0       2.8
     122.0      10.7
     123.0       1.8
     125.0       1.9
     137.0     100.0
     138.0       9.2
     182.0      47.2
     183.0       4.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₄	0.047 g : 0.5 ml CDCl₃
4-hydroxy-3-methoxyphenylacetic acid

    Assign.     Shift(ppm)

      A             6.86
      B             6.80
      C             6.79
      D             5.6
      E             3.883
      F             3.57

     Hz     ppm     Int.

    621.13   6.936     37
    614.04   6.857     42
    612.41   6.838    225
    610.53   6.817     41
    608.83   6.799    339
    347.78   3.884   1000
    345.81   3.862     32
    319.92   3.573    407

in CDCl3