79-97-0

2,2-Bis(4-hydroxy-3-methylphenyl)propane(79-97-0) MS

Product Name2,2-Bis(4-hydroxy-3-methylphenyl)propane

CAS 79-97-0

Molecular FormulaC17H20O2

Molecular Weight256.34

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

InChIKey YMTYZTXUZLQUSF-UHFFFAOYSA-N

SmilesC(C1=CC=C(O)C(C)=C1)(C1=CC=C(O)C(C)=C1)(C)C

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2,2-Bis(4-hydroxy-3-methylphenyl)propane(79-97-0) MS
Mass

MS-IW-4858          
4,4'-isopropylidenebis(2-methylphenol)
C17H20O2            (Mass of molecular ion:    256)

   Source Temperature: 150 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      39.0       1.1
      41.0       1.4
      77.0       3.1
      79.0       2.0
      89.0       1.1
      91.0       2.1
     103.0       1.3
     104.0       1.5
     105.0       3.0
     105.5       1.1
     107.0       1.7
     108.0       1.3
     112.0       1.0
     113.0       4.5
     115.0       1.4
     120.5       1.4
     121.0       2.4
     128.0       2.4
     133.0      14.4
     134.0       2.0
     148.0       1.6
     149.0       3.5
     165.0       1.0
     181.0       1.3
     182.0       1.0
     197.0       1.2
     211.0       1.7
     225.0       2.2
     226.0       1.1
     240.0       1.4
     241.0     100.0
     242.0      17.9
     243.0       1.9
     256.0      28.3
     257.0       5.3

400 MHz in DMSO-d6

2,2-Bis(4-hydroxy-3-methylphenyl)propane(79-97-0) MS

¹H NMR	399.65 MHz
C₁₇ H₂₀ O₂	0.039 g : 0.5 ml DMSO-d₆
4,4'-isopropylidenebis(2-methylphenol)

    Assign.     Shift(ppm)

      A             8.99
      B             6.875
      C             6.805
      D             6.650
      E             2.060
      F             1.514

     Hz     ppm     Int.

   3592.99   8.991    715
   2748.87   6.879    179
   2746.89   6.874    199
   2725.37   6.820    102
   2723.08   6.814     85
   2716.98   6.799    128
   2714.84   6.794    114
   2661.59   6.660    269
   2653.20   6.639    217
    823.21   2.060   1000
    605.16   1.515    653

in DMSO-d6