7325-46-4

1,4-苯二乙酸(7325-46-4)紅外圖譜(IR1)

產(chǎn)品名稱:1,4-苯二乙酸

CAS:7325-46-4

分子式:C10H10O4

分子量: 194.18

InChI:InChI=1S/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)

InChIKey: SLWIPPZWFZGHEU-UHFFFAOYSA-N

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

Mass

MS-NW-6874          
p-phenylenediacetic acid
C10H10O4            (Mass of molecular ion:    194)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.2
      27.0       4.2
      28.0       1.6
      38.0       1.1
      39.0       5.4
      45.0       5.0
      50.0       3.6
      51.0       8.8
      52.0       3.5
      53.0       2.4
      62.0       1.4
      63.0       3.9
      65.0       3.1
      74.0       1.4
      75.0       1.3
      76.0       1.6
      77.0      19.8
      78.0       8.8
      79.0      10.9
      89.0       1.4
      91.0      13.4
      92.0       1.5
     102.0       2.3
     103.0      12.9
     104.0      30.5
     105.0      34.7
     106.0       3.4
     107.0      34.2
     108.0       2.7
     131.0       5.3
     147.0       1.1
     148.0       1.0
     149.0     100.0
     150.0      11.6
     151.0       1.1
     194.0      56.2
     195.0       6.5

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₀ O₄	0.038 g : 0.5 ml DMSO-d₆
p-phenylenediacetic acid

    Assign.     Shift(ppm)

      A            12.4
      B             7.192
      C             3.536

     Hz     ppm     Int.

   2874.43   7.193   1000
   1413.31   3.537    752

¹H NMR	89.56 MHz
C₁₀ H₁₀ O₄	0.046 g : 0.5 ml DMSO-d₆
p-phenylenediacetic acid

    Assign.     Shift(ppm)

      A            12.
      B             7.191
      C             3.533

     Hz     ppm     Int.

    644.24   7.194   1000
    639.16   7.137     96
    631.74   7.054     29
    629.39   7.028     22
    316.50   3.534    792

in DMSO-d6

KBr disc

nujol mull

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1,4-苯二乙酸(7325-46-4)紅外圖譜(IR1)