4,4'-METHYLENEBIS(2,6-DIMETHYLPHENOL)(5384-21-4) MS
Product Name4,4'-METHYLENEBIS(2,6-DIMETHYLPHENOL)
CAS5384-21-4
Molecular FormulaC17H20O2
Molecular Weight256.34
InChIInChI=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
SmilesC(C1=CC(C)=C(O)C(C)=C1)C1=CC(C)=C(O)C(C)=C1
-
MassMS-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
