2081-08-5

4,4'-亞乙烯聯(lián)苯酚(2081-08-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:4,4'-亞乙烯聯(lián)苯酚

CAS:2081-08-5

分子式:C14H14O2

分子量: 214.26

InChI:InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3

InChIKey: HCNHNBLSNVSJTJ-UHFFFAOYSA-N

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

Mass

MS-IW-4862          
4,4'-ethylidenediphenol
C14H14O2            (Mass of molecular ion:    214)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       1.4
      51.0       1.0
      55.0       2.9
      63.0       1.0
      65.0       1.9
      76.0       1.8
      77.0       2.5
      84.0       1.1
      90.0       1.6
      90.5       2.0
      91.0       3.0
      99.0       2.2
      99.5       4.1
     103.0       1.2
     107.0       3.1
     115.0       1.7
     119.0       2.1
     120.0       2.6
     121.0       3.2
     128.0       1.2
     131.0       1.2
     141.0       1.3
     152.0       2.8
     153.0       2.2
     169.0       2.1
     170.0       1.5
     181.0       5.6
     182.0       1.4
     197.0       3.2
     198.0       2.9
     199.0     100.0
     200.0      14.4
     201.0       1.3
     213.0       2.0
     214.0      39.2
     215.0       6.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₁₄ O₂	0.039 g : 0.5 ml DMSO-d₆
4,4'-ethylidenediphenol

    Assign.     Shift(ppm)

      A             9.14
      B             7.001
      C             6.666
      D             3.912
      E             1.462

     Hz     ppm     Int.

   3653.11   9.141   1000
   2805.18   7.020     67
   2802.43   7.013    476
   2800.60   7.008    172
   2795.87   6.996    191
   2794.04   6.992    547
   2791.14   6.984     72
   2671.20   6.684     84
   2668.30   6.677    644
   2666.17   6.672    199
   2661.74   6.661    199
   2659.76   6.656    570
   2656.71   6.648     68
   1574.86   3.941     23
   1567.69   3.923     78
   1560.52   3.905     80
   1553.34   3.887     25
    587.92   1.472    362
    580.75   1.454    359

in CDCl3