606-83-7

3,3-二苯基丙酸(606-83-7)核磁图(¹³CNMR)

产品名称:3,3-二苯基丙酸

CAS:606-83-7

分子式:C15H14O2

分子量: 226.27

InChI:InChI=1S/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)

InChIKey: BZQGAPWJKAYCHR-UHFFFAOYSA-N

Smiles:C(CC(=O)O)(C1C=CC=CC=1)C1=CC=CC=C1

Mass

MS-NW-6426          
3,3-diphenylpropionic acid
C15H14O2            (Mass of molecular ion:    226)

   Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       4.4
      27.0       1.0
      28.0       1.0
      39.0       2.1
      50.0       1.4
      51.0       4.2
      63.0       1.9
      65.0       1.0
      76.0       2.0
      77.0       7.0
      78.0       1.9
      79.0       1.4
      82.0       1.3
      82.5       2.3
      83.0       2.2
      89.0       3.1
      90.0       1.3
      91.0       1.4
     102.0       1.5
     103.0       5.9
     104.0       1.9
     115.0       1.9
     128.0       1.2
     139.0       1.2
     151.0       1.2
     152.0       9.9
     153.0       1.6
     164.0       1.2
     165.0      20.0
     166.0       9.0
     167.0     100.0
     168.0      14.7
     169.0       1.0
     178.0       3.0
     179.0       3.8
     180.0      11.5
     181.0       2.6
     208.0       1.0
     226.0      37.2
     227.0       6.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₅ H₁₄ O₂	0.040 g : 0.5 ml CDCl₃
3,3-diphenylpropionic acid

    Assign.     Shift(ppm)

      A            10.99
      B          7.41 to 6.99
      C             4.496
      D             3.049

     Hz     ppm     Int.

    984.46  10.993     42
    658.81   7.357     23
    657.87   7.346     22
    653.17   7.294     26
    650.10   7.259     61
    648.13   7.237    147
    645.91   7.213   1000
    638.82   7.133     37
    633.69   7.076     22
    632.32   7.061     22
    411.27   4.593     27
    403.32   4.504     63
    395.46   4.416     35
    276.94   3.093    168
    269.08   3.005    150

in CDCl3