618-83-7

5-羟基间苯二甲酸(618-83-7)核磁图(¹³CNMR)

产品名称:5-羟基间苯二甲酸

CAS:618-83-7

分子式:C8H6O5

分子量: 182.13

InChI:InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

InChIKey: QNVNLUSHGRBCLO-UHFFFAOYSA-N

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

Mass

MS-IW-3907          
5-hydroxyisophthalic acid
C8H6O5              (Mass of molecular ion:    182)

   Source Temperature: 130 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       3.5
      27.0       1.0
      38.0       1.6
      39.0       3.6
      45.0       1.9
      51.0       1.2
      53.0       4.7
      55.0       1.1
      61.0       1.5
      62.0       3.6
      63.0       6.8
      64.0       1.9
      65.0       1.9
      69.0       2.9
      74.0       1.7
      81.0      11.6
      82.0       1.2
      91.0       1.5
      92.0       2.4
      93.0       2.0
     108.0       1.1
     109.0       3.4
     119.0       1.2
     121.0       1.7
     136.0       1.5
     137.0      23.8
     138.0       2.3
     164.0       1.1
     165.0      68.8
     166.0       6.5
     182.0     100.0
     183.0       8.8
     184.0       1.4

parameter in DMSO-d6

¹H NMR	300 MHz
C₈ H₆ O₅	0.031 g : 0.5 ml DMSO-d₆
5-hydroxyisophthalic acid

    Parameter     ppm  Hz

      D(A)        13.2
     
      D(B)        10.2
     
      D(C)         7.976
     
      D(D)         7.562

     Hz     ppm     Int.

   3960.01  13.200     23
   3060.07  10.200     11
   2392.78   7.976    500
   2268.59   7.562   1000

in DMSO-d6

KBr disc

nujol mull

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5-羟基间苯二甲酸(618-83-7)核磁图(13CNMR)

5-羟基间苯二甲酸(618-83-7)核磁图(¹³CNMR)