2-Methyl-1-propanol(78-83-1) 13C NMR
Product Name2-Methyl-1-propanol
CAS78-83-1
Molecular FormulaC4H10O
Molecular Weight74.12
InChIInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
SmilesC(O)C(C)C
-
MassMS-NW-0099 2-methyl-1-propanol C4H10O (Mass of molecular ion: 74)
Source Temperature: 240 °C Sample Temperature: 95 °C Reservoir, 75 eV
15.0 1.5 18.0 3.4 26.0 1.6 27.0 23.0 28.0 12.4 29.0 8.0 31.0 39.7 32.0 3.6 33.0 46.3 38.0 2.1 39.0 14.1 40.0 2.8 41.0 57.3 42.0 59.4 43.0 100.0 44.0 3.2 45.0 3.6 55.0 5.5 56.0 4.6 57.0 2.8 59.0 5.9 73.0 3.1 74.0 13.3
90 MHz in CDCl3
in CDCl3
-
1H NMR 89.56 MHz C4 H10 O 0.04 ml : 0.5 ml CDCl3 2-methyl-1-propanol 
Assign. Shift(ppm)
A 3.391 B 2.07 C 1.75 D 0.920 J(A,C)=6.5HZ. J(C,D)=6.4HZ.
Hz ppm Int.307.06 3.429 500 300.63 3.357 554 186.31 2.081 121 185.19 2.068 255 164.56 1.838 44 158.00 1.765 49 157.63 1.761 48 151.19 1.689 55 144.69 1.616 40 85.13 0.951 1000 78.69 0.879 740
-
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
