BIS(4-HYDROXY-3-METHYLPHENYL) SULFIDE(24197-34-0) IR1
Product NameBIS(4-HYDROXY-3-METHYLPHENYL) SULFIDE
CAS24197-34-0
Molecular FormulaC14H14O2S
Molecular Weight246.32
InChIInChI=1S/C14H14O2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3
InChIKey IBNFPRMKLZDANU-UHFFFAOYSA-N
SmilesS(C1=CC=C(O)C(C)=C1)C1=CC=C(O)C(C)=C1
-
MassMS-IW-4185 4,4'-thiobis(o-cresol) C14H14O2S (Mass of molecular ion: 246)
Source Temperature: 150 °C Sample Temperature: 90 °C Direct, 75 eV
18.0 2.4 28.0 3.3 32.0 1.1 39.0 1.8 43.0 1.2 45.0 1.4 51.0 2.1 52.0 1.1 53.0 1.5 55.0 1.3 67.0 1.0 77.0 5.1 78.0 1.6 79.0 1.3 95.0 1.1 99.0 1.4 100.0 1.4 106.5 1.6 107.0 2.6 108.0 3.2 113.0 1.6 114.0 1.2 114.5 1.4 115.0 1.6 115.5 1.8 121.0 1.1 122.0 1.6 123.0 3.7 139.0 2.6 140.0 1.2 169.0 1.0 170.0 1.1 177.0 1.3 184.0 1.1 185.0 3.5 187.0 1.6 197.0 1.8 198.0 2.2 201.0 1.9 202.0 1.4 203.0 2.3 212.0 1.4 213.0 15.7 214.0 15.4 215.0 2.7 216.0 5.8 217.0 2.6 227.0 1.3 229.0 5.3 230.0 5.9 231.0 10.4 232.0 1.7 245.0 9.8 246.0 100.0 247.0 16.6 248.0 6.1
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C14 H14 O2 S 0.035 g : 0.5 ml DMSO-d6 4,4'-thiobis(o-cresol) 
Assign. Shift(ppm)
A 9.53 B 7.07 C 6.983 D 6.760 E 2.078
Hz ppm Int.3808.29 9.530 69 2825.62 7.071 189 2824.10 7.067 210 2823.33 7.065 206 2796.33 6.997 111 2794.34 6.992 97 2788.09 6.977 131 2786.10 6.972 123 2705.54 6.770 279 2697.30 6.750 239 830.54 2.079 1000
in DMSO-d6
KBr disc
nujol mull
