1571-75-1

雙酚AP(1571-75-1)質(zhì)譜(MS)

產(chǎn)品名稱:雙酚AP

CAS:1571-75-1

分子式:C20H18O2

分子量: 290.36

InChI:InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3

InChIKey: VOWWYDCFAISREI-UHFFFAOYSA-N

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

Mass

MS-IW-4871          
4,4'-(alpha-methylbenzylidene)diphenol
C20H18O2            (Mass of molecular ion:    290)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.2
      55.0       1.4
      65.0       1.6
      77.0       2.2
      91.0       2.8
      94.0       1.1
     101.0       1.4
     103.0       3.4
     106.0       1.4
     107.0       1.0
     113.0       1.3
     115.0       1.4
     119.0       5.3
     120.0       1.0
     128.0       1.5
     145.0       1.6
     152.0       3.5
     153.0       2.4
     165.0       2.0
     181.0       9.9
     182.0       2.1
     195.0       1.3
     196.0       1.4
     197.0       7.2
     198.0       1.3
     202.0       1.2
     213.0       7.2
     214.0       1.2
     215.0       1.1
     231.0       1.3
     245.0       1.1
     274.0       1.4
     275.0     100.0
     276.0      21.1
     277.0       2.5
     290.0      23.3
     291.0       5.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₀ H₁₈ O₂	0.038 g : 0.5 ml DMSO-d₆
4,4'-(alpha-methylbenzylidene)diphenol

    Assign.     Shift(ppm)

      A             9.27
      B             7.243
      C             7.165
      D             7.032
      E             6.823
      F             6.671
      G             2.022

     Hz     ppm     Int.

   3703.92   9.268   1000
   2903.44   7.265     99
   2901.76   7.261     44
   2896.12   7.247    235
   2888.49   7.228    185
   2870.48   7.183     58
   2869.26   7.180    101
   2868.04   7.177     65
   2863.92   7.167     46
   2861.94   7.162    130
   2859.80   7.156     36
   2855.99   7.147     31
   2854.77   7.144     47
   2814.48   7.043    194
   2813.11   7.039    247
   2811.13   7.034     70
   2805.94   7.021    204
   2734.99   6.844     65
   2732.09   6.837    497
   2729.95   6.831    177
   2725.37   6.820    220
   2723.24   6.815    660
   2720.34   6.807     86
   2673.03   6.689     94
   2670.14   6.682    685
   2668.00   6.676    205
   2663.42   6.665    196
   2661.29   6.660    540
   2658.23   6.652     62
    807.95   2.022    445

in DMSO-d6