5384-21-4

4,4'-亚甲基双(2,6-二甲基)苯酚(5384-21-4)红外图谱(IR1)

产品名称:4,4'-亚甲基双(2,6-二甲基)苯酚

CAS:5384-21-4

分子式:C17H20O2

分子量: 256.34

InChI:InChI=1S/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3

InChIKey: AZZWZMUXHALBCQ-UHFFFAOYSA-N

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

Mass

MS-IW-4867          
4,4'-methylenebis(2,6-dimethylphenol)
C17H20O2            (Mass of molecular ion:    256)

   Source Temperature: 150 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      39.0       1.1
      41.0       1.5
      43.0       1.5
      65.0       1.5
      69.0       1.1
      77.0       2.7
      79.0       1.5
      89.0       1.5
      91.0       5.1
     103.0       1.0
     104.0       2.4
     105.0       2.9
     106.0       1.0
     107.0       1.0
     112.0       1.5
     113.0       4.1
     115.0       1.7
     119.0       1.5
     120.0       1.9
     120.5       2.0
     121.0       2.0
     122.0       1.6
     127.0       1.6
     128.0       8.5
     128.5       1.4
     134.0      15.2
     135.0      15.7
     136.0       1.8
     165.0       1.5
     179.0       1.5
     181.0       1.9
     182.0       1.4
     183.0       1.0
     194.0       1.3
     195.0       1.7
     196.0       1.4
     197.0       2.4
     209.0       2.2
     210.0       1.0
     211.0       4.9
     212.0       2.1
     223.0       1.9
     224.0       1.6
     225.0       6.2
     226.0       5.1
     227.0       2.9
     237.0       1.5
     239.0      17.4
     240.0       5.1
     241.0     100.0
     242.0      17.7
     243.0       1.8
     255.0      22.4
     256.0      90.9
     257.0      16.8
     258.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₂₀ O₂	0.040 g : 0.5 ml CDCl₃
4,4'-methylenebis(2,6-dimethylphenol)

    Assign.     Shift(ppm)

      A             6.785
      B             4.47
      C             3.698
      D             2.197

     Hz     ppm     Int.

   2711.91   6.786    260
   1787.23   4.472    180
   1478.27   3.699    144
    878.17   2.198   1000

in CDCl3

KBr disc

nujol mull

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