2,2-Bis(4-hydroxy-3-methylphenyl)propane(79-97-0) Raman
Product Name2,2-Bis(4-hydroxy-3-methylphenyl)propane
CAS79-97-0
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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MassMS-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
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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
KBr disc
nujol mull
