603-44-1

4,4',4''-亞甲基三苯酚(603-44-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:4,4',4''-亞甲基三苯酚

CAS:603-44-1

分子式:C19H16O3

分子量: 292.33

InChI:InChI=1S/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H

InChIKey: WFCQTAXSWSWIHS-UHFFFAOYSA-N

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

Mass

MS-IW-6463          
4,4',4''-methylidynetriphenol
C19H16O3            (Mass of molecular ion:    292)

   Source Temperature: 150 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       4.6
      39.0       1.9
      51.0       1.0
      55.0       4.1
      63.0       1.1
      65.0       2.2
      66.0       1.5
      76.0       1.0
      77.0       1.4
      94.0       9.4
      95.0       1.0
      99.0       1.2
     101.0       1.1
     107.0       3.2
     113.0       1.1
     115.0       3.4
     127.0       1.2
     128.0       2.9
     131.0       2.1
     137.0       2.0
     139.0       1.3
     141.0       3.0
     146.0       4.0
     151.0       1.7
     152.0       3.9
     153.0       3.0
     168.0       1.8
     169.0       5.6
     170.0       3.3
     171.0       1.2
     181.0      16.9
     182.0       3.5
     186.0       1.8
     197.0      27.5
     198.0      41.7
     199.0      63.5
     200.0      10.1
     201.0       1.3
     202.0       1.1
     231.0       1.0
     237.0       1.1
     245.0       1.0
     247.0       1.0
     263.0       1.0
     273.0       1.7
     274.0       2.0
     275.0      29.3
     276.0       6.5
     277.0       1.0
     291.0      31.8
     292.0     100.0
     293.0      20.6
     294.0       2.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₉ H₁₆ O₃	0.039 g : 0.5 ml DMSO-d₆
4,4',4''-methylidynetriphenol

    Assign.     Shift(ppm)

      A             9.22
      B             6.861
      C             6.676
      D             5.228

     Hz     ppm     Int.

   3683.62   9.218   1000
   2749.63   6.881     57
   2747.04   6.874    438
   2740.33   6.857    184
   2738.49   6.853    545
   2735.90   6.846     83
   2675.02   6.694     84
   2672.12   6.687    668
   2670.14   6.682    212
   2665.56   6.670    194
   2663.57   6.665    577
   2660.68   6.658     71
   2089.54   5.229    140

in DMSO-d6