1,2-Benzenedimethanol(612-14-6) IR1
Product Name1,2-Benzenedimethanol
CAS612-14-6
Molecular FormulaC8H10O2
Molecular Weight138.16
InChIInChI=1S/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2
InChIKey XMUZQOKACOLCSS-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC=C1CO
-
MassMS-IW-8680 o-xylene-alpha,alpha'-diol C8H10O2 (Mass of molecular ion: 138)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 3.8 27.0 2.6 28.0 1.5 29.0 2.3 31.0 2.7 38.0 1.6 39.0 9.3 40.0 1.0 41.0 2.1 45.0 1.4 50.0 4.2 51.0 10.0 52.0 2.5 53.0 2.7 59.0 1.5 60.0 1.8 62.0 2.6 63.0 7.7 64.0 2.1 65.0 18.7 66.0 1.5 74.0 1.4 75.0 1.2 77.0 22.2 78.0 4.0 79.0 18.8 80.0 1.3 89.0 10.7 90.0 8.8 91.0 100.0 92.0 27.8 93.0 2.8 103.0 1.4 104.0 1.7 105.0 1.8 107.0 5.1 118.0 5.2 119.0 82.0 120.0 97.1 121.0 9.5 135.0 1.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H10 O2 0.039 g : 0.5 ml CDCl3 o-xylene-alpha,alpha'-diol 
Assign. Shift(ppm)
A 7.26 B 4.56 C 4.07
Hz ppm Int.650.63 7.265 1000 408.44 4.561 250 364.50 4.070 68
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
