7151-68-0

3-甲氧基-4-甲基苯甲酸(7151-68-0)質(zhì)譜(MS)

產(chǎn)品名稱:3-甲氧基-4-甲基苯甲酸

CAS:7151-68-0

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11)

InChIKey: CEAVPXDEPGAVDA-UHFFFAOYSA-N

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

Mass

MS-NW-8932          
3-methoxy-4-methylbenzoic acid
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       1.7
      39.0       4.5
      41.0       1.6
      43.0       1.1
      45.0       1.0
      50.0       2.2
      51.0       6.7
      52.0       4.2
      53.0       2.6
      55.0       1.6
      62.0       1.1
      63.0       3.7
      65.0       3.7
      66.0       1.0
      67.0       2.7
      77.0      15.4
      78.0       6.6
      79.0       4.3
      89.0       2.9
      90.0       2.2
      91.0      20.4
      92.0       2.5
      93.0       3.1
      95.0       2.0
     105.0       4.8
     106.0       3.0
     107.0       3.7
     109.0       1.2
     119.0       2.3
     120.0       3.1
     121.0      32.3
     122.0       3.8
     123.0       5.6
     134.0       1.3
     135.0       2.7
     136.0       1.4
     137.0       1.3
     149.0       8.9
     150.0       1.0
     151.0      26.4
     152.0       2.6
     165.0       2.3
     166.0     100.0
     167.0      10.1
     168.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₃	0.040 g : 0.5 ml CDCl₃
3-methoxy-4-methylbenzoic acid

    Assign.     Shift(ppm)

      A            12.3
      B             7.650
      C             7.536
      D             7.22
      E             3.889
      F             2.277

     Hz     ppm     Int.

   1104.17  12.329     38
    690.34   7.709     65
    688.89   7.692     72
    682.82   7.625     85
    681.20   7.607    108
    679.49   7.587     26
    675.56   7.544    153
    674.19   7.528    112
    641.98   7.169     68
    348.38   3.890   1000
    204.05   2.279    561
    199.10   2.224     25

in CDCl3