Isopropyl alcohol(67-63-0) 13C NMR
Product NameIsopropyl alcohol
CAS67-63-0
Molecular FormulaC3H8O
Molecular Weight60.1
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKey KFZMGEQAYNKOFK-UHFFFAOYSA-N
SmilesCC(O)C
-
MassMS-NW-1499 2-propanol C3H8O (Mass of molecular ion: 60)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1 15.0 4.0 19.0 5.4 26.0 1.3 27.0 11.6 28.0 1.7 29.0 6.3 31.0 4.8 37.0 1.0 38.0 1.5 39.0 5.2 41.0 7.3 42.0 2.2 43.0 10.4 44.0 3.3 45.0 100.0 46.0 2.3 59.0 3.8
in DMSO-d6
in CDCl3
in CD3CN
in CD3OD
90 MHz in CDCl3
-
-
-
-
-
1H NMR 89.56 MHz C3 H8 O 0.04 ml : 0.5 ml CDCl3 2-propanol 
Assign. Shift(ppm)
A 4.008 B 2.16 C 1.200
Hz ppm Int.371.56 4.149 24 365.38 4.080 56 359.25 4.012 72 353.13 3.943 60 347.06 3.876 28 193.00 2.155 335 110.44 1.234 1000 108.19 1.209 27 104.31 1.165 939 102.06 1.140 25
in CDCl3
in DMSO-d6
in CD3OD
in CD3CN
liquid film
4880 A,150M,liquid
UV IRRAD. OF ACETONE AND ISOPROPANOL AT 77K
UV IRRAD. OF ACETONE AND ISOPROPANOL AT 4K
OXIDATION WITH TI(III)/H2O2
