2-Methyl-3-buten-2-ol(115-18-4) IR2
Product Name2-Methyl-3-buten-2-ol
CAS115-18-4
Molecular FormulaC5H10O
Molecular Weight86.13
InChIInChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
InChIKey HNVRRHSXBLFLIG-UHFFFAOYSA-N
SmilesCC(C)(O)C=C
-
MassMS-NW-1103 2-methyl-3-buten-2-ol C5H10O (Mass of molecular ion: 86)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 5.4 18.0 1.6 26.0 2.6 27.0 16.0 28.0 3.1 29.0 3.0 31.0 12.8 38.0 1.6 39.0 10.5 40.0 2.2 41.0 26.2 42.0 2.4 43.0 55.4 44.0 1.9 45.0 3.1 50.0 1.5 51.0 1.9 53.0 8.2 55.0 2.9 58.0 5.7 59.0 32.9 60.0 1.1 67.0 3.6 68.0 1.9 69.0 5.5 71.0 100.0 72.0 4.5 73.0 1.1 86.0 1.3
parameter in CDCl3
-
1H NMR 300 MHz C5 H10 O 9.8 mol% in CDCl3 2-methyl-3-buten-2-ol 
Parameter ppm Hz
D(A) 5.197 D(B) 4.978 D(C) 5.988 J(A,B) 1.21 J(A,C) 17.37 J(B,C) 10.70 D(D) 2.171 D(E) 1.311
Hz ppm Int.1810.83 6.036 37 1800.14 6.000 40 1793.50 5.978 43 1782.85 5.943 46 1568.10 5.227 48 1566.91 5.223 50 1550.71 5.169 42 1549.52 5.165 42 1499.27 4.998 48 1498.08 4.994 46 1488.58 4.962 44 1487.39 4.958 43 651.31 2.171 167 393.30 1.311 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
