612-14-6

邻苯二甲醇(612-14-6)核磁图(¹HNMR)

产品名称:邻苯二甲醇

CAS:612-14-6

分子式:C8H10O2

分子量: 138.16

InChI:InChI=1S/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2

InChIKey: XMUZQOKACOLCSS-UHFFFAOYSA-N

Smiles:C1(CO)=CC=CC=C1CO

Mass

MS-IW-8680          
o-xylene-alpha,alpha'-diol
C8H10O2             (Mass of molecular ion:    138)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       3.8
      27.0       2.6
      28.0       1.5
      29.0       2.3
      31.0       2.7
      38.0       1.6
      39.0       9.3
      40.0       1.0
      41.0       2.1
      45.0       1.4
      50.0       4.2
      51.0      10.0
      52.0       2.5
      53.0       2.7
      59.0       1.5
      60.0       1.8
      62.0       2.6
      63.0       7.7
      64.0       2.1
      65.0      18.7
      66.0       1.5
      74.0       1.4
      75.0       1.2
      77.0      22.2
      78.0       4.0
      79.0      18.8
      80.0       1.3
      89.0      10.7
      90.0       8.8
      91.0     100.0
      92.0      27.8
      93.0       2.8
     103.0       1.4
     104.0       1.7
     105.0       1.8
     107.0       5.1
     118.0       5.2
     119.0      82.0
     120.0      97.1
     121.0       9.5
     135.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀ O₂	0.039 g : 0.5 ml CDCl₃
o-xylene-alpha,alpha'-diol

    Assign.     Shift(ppm)

      A             7.26
      B             4.56
      C             4.07

     Hz     ppm     Int.

    650.63   7.265   1000
    408.44   4.561    250
    364.50   4.070     68

in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

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邻苯二甲醇(612-14-6)核磁图(¹HNMR)