553-72-0

苯甲酸锌盐(553-72-0)核磁图(¹³CNMR)

产品名称:苯甲酸锌盐

CAS:553-72-0

分子式:C7H6O2Zn

分子量: 187.5

InChI:InChI=1S/C7H6O2.Zn/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);

InChIKey: VEEBLJYPXXIVEB-UHFFFAOYSA-N

Smiles:C(C1C=CC=CC=1)(=O)O.[Zn]

Mass

MS-IW-3964          
zinc benzoate
C14H10O4Zn          (Mass of molecular ion:    306)

   Source Temperature: 180 °C
   Sample Temperature: 320 °C
   Direct, 75 eV

      27.0       1.6
      28.0       3.7
      37.0       1.1
      38.0       2.1
      38.5       1.4
      39.0       4.0
      41.0       1.0
      43.0       1.6
      44.0      11.4
      50.0       9.5
      51.0      22.2
      52.0       4.4
      52.5       1.2
      55.0       1.2
      57.0       1.3
      63.0       1.1
      64.0       2.2
      65.0       2.6
      66.0       1.2
      74.0       4.0
      75.0       3.1
      76.0       7.5
      77.0      91.8
      78.0      18.9
      79.0       1.5
      91.0       1.2
      93.0       1.3
      94.0       1.9
     104.0       1.6
     105.0     100.0
     106.0       8.3
     122.0      78.3
     123.0       6.3
     135.0       2.2
     140.0       1.4
     141.0      20.4
     142.0       2.3
     143.0      11.6
     144.0       2.7
     145.0       7.7
     152.0       1.6
     153.0       4.2
     154.0      34.2
     155.0       4.9
     180.0       1.6
     181.0       1.8
     185.0      10.2
     186.0       1.0
     187.0       5.9
     188.0       1.3
     189.0       4.1
     198.0       1.4
     218.0      10.1
     219.0       1.4
     220.0       6.1
     221.0       1.8
     222.0       4.1
     262.0      27.5
     263.0       4.1
     264.0      15.6
     265.0       4.6
     266.0      10.7
     267.0       1.5
     306.0      16.6
     307.0       2.7
     308.0       9.4
     309.0       2.8
     310.0       6.8
     311.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₁₀ O₄ Zn	0.037 g : 0.5 ml DMSO-d₆
zinc benzoate

    Assign.     Shift(ppm)

      A             7.975
      B             7.499
      C             7.428

     Hz     ppm     Int.

   3194.09   7.993    117
   3192.26   7.988    651
   3190.92   7.985    866
   3189.58   7.981    414
   3186.04   7.973    262
   3184.08   7.968    994
   3182.50   7.964    815
   3007.81   7.527     92
   3006.35   7.523    167
   3005.00   7.520    108
   3001.59   7.511    125
   2999.15   7.505    475
   2996.83   7.499    174
   2993.29   7.490    253
   2991.82   7.487    431
   2990.36   7.483    238
   2987.18   7.475     34
   2975.83   7.447    679
   2974.49   7.443    319
   2969.60   7.431    560
   2968.26   7.428   1000
   2962.77   7.414    177
   2961.18   7.410    446
   2960.08   7.407    276

in DMSO-d6