2-Methyl-2,4-pentanediol(107-41-5) 1H NMR
Product Name2-Methyl-2,4-pentanediol
CAS107-41-5
Molecular FormulaC6H14O2
Molecular Weight118.17
InChIInChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
InChIKey SVTBMSDMJJWYQN-UHFFFAOYSA-N
SmilesCC(C)(O)CC(O)C
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MassMS-NW-5523 2-methyl-2,4-pentanediol C6H14O2 (Mass of molecular ion: 118)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.0 15.0 5.6 17.0 1.5 18.0 7.7 19.0 1.4 26.0 1.3 27.0 8.5 28.0 3.3 29.0 6.9 31.0 11.4 38.0 1.3 39.0 11.4 40.0 3.4 41.0 35.2 42.0 14.2 43.0 70.7 44.0 6.7 45.0 28.8 50.0 1.0 51.0 1.3 53.0 2.2 54.0 1.3 55.0 5.9 56.0 43.0 57.0 15.3 58.0 3.8 59.0 100.0 60.0 3.8 61.0 10.0 67.0 6.7 82.0 3.0 85.0 12.2 103.0 5.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H14 O2 0.05 ml : 0.5 ml CDCl3 2-methyl-2,4-pentanediol 
Assign. Shift(ppm)
A 4.28 B 4.198 C *1 1.638 D *1 1.474 E *2 1.298 F *2 1.242 G 1.181
Hz ppm Int.1709.96 4.279 82 1692.26 4.235 38 1690.19 4.230 37 1686.04 4.219 71 1683.96 4.214 74 1681.52 4.208 39 1679.81 4.204 80 1677.73 4.198 77 1675.29 4.192 73 1673.22 4.187 79 1671.75 4.184 39 1669.19 4.177 69 1666.99 4.172 66 668.21 1.672 72 657.47 1.646 74 653.81 1.636 106 643.07 1.610 105 596.44 1.493 195 594.24 1.487 201 581.91 1.457 143 579.71 1.451 131 519.17 1.300 882 509.64 1.276 40 506.71 1.268 33 503.54 1.260 47 496.58 1.243 1000 490.23 1.227 44 488.04 1.222 35 484.25 1.212 38 475.10 1.189 787 468.87 1.174 794 462.65 1.158 30
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
