4-Methyl-1-pentanol(626-89-1) MS
Product Name4-Methyl-1-pentanol
CAS626-89-1
Molecular FormulaC6H14O
Molecular Weight102.17
InChIInChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKey PCWGTDULNUVNBN-UHFFFAOYSA-N
SmilesC(O)CCC(C)C
-
MassMS-NW-5625 4-methyl-1-pentanol C6H14O (Mass of molecular ion: 102)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.1 27.0 13.5 28.0 2.6 29.0 12.9 31.0 17.1 39.0 9.4 40.0 2.1 41.0 54.8 42.0 47.0 43.0 54.1 44.0 2.0 45.0 4.0 53.0 1.9 55.0 11.9 56.0 100.0 57.0 10.8 59.0 2.0 60.0 2.2 67.0 1.3 69.0 45.2 70.0 3.6 71.0 1.7 83.0 1.8 84.0 3.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H14 O 0.04 ml : 0.5 ml CDCl3 4-methyl-1-pentanol 
Assign. Shift(ppm)
A 3.605 B 1.94 C 1.57 D 1.84 to 1.26 E 1.26 F 0.899
Hz ppm Int.330.13 3.687 113 323.63 3.614 293 317.06 3.541 182 173.81 1.941 791 149.63 1.671 46 147.56 1.648 74 143.56 1.603 57 142.69 1.594 66 140.63 1.571 149 137.13 1.532 59 136.00 1.519 51 134.00 1.497 127 132.38 1.479 50 131.13 1.465 51 130.63 1.459 53 128.63 1.437 33 127.75 1.427 63 126.63 1.414 54 120.75 1.349 62 120.19 1.343 54 118.50 1.324 100 115.38 1.289 86 112.81 1.260 75 112.06 1.252 58 109.81 1.227 74 109.00 1.218 70 105.94 1.183 44 104.75 1.170 37 103.25 1.153 77 96.31 1.076 45 83.00 0.927 1000 79.00 0.883 43 76.94 0.860 679
in CDCl3
liquid film
4880 A,200 M,liquid
