2-METHYL-2-PENTANOL(590-36-3) MS
Product Name2-METHYL-2-PENTANOL
CAS590-36-3
Molecular FormulaC6H14O
Molecular Weight102.17
InChIInChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3
InChIKey WFRBDWRZVBPBDO-UHFFFAOYSA-N
SmilesCC(C)(O)CCC
-
MassMS-IW-3853 2-methyl-2-pentanol C6H14O (Mass of molecular ion: 102)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.8 27.0 7.5 28.0 1.3 29.0 6.0 31.0 17.6 39.0 6.9 40.0 1.0 41.0 22.1 42.0 2.2 43.0 22.2 45.0 48.5 46.0 1.1 53.0 1.1 55.0 3.2 56.0 2.7 57.0 3.3 58.0 3.7 59.0 100.0 60.0 5.4 69.0 12.0 71.0 1.1 84.0 1.2 85.0 2.8 87.0 37.6 88.0 2.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H14 O 0.05 ml : 0.5 ml CDCl3 2-methyl-2-pentanol 
Assign. Shift(ppm)
A 2.04 B 1.44 C 1.38 D 1.197 E 0.926
Hz ppm Int.813.48 2.036 122 587.77 1.471 55 585.33 1.465 63 581.18 1.455 111 577.27 1.445 88 573.49 1.435 143 570.80 1.429 184 569.21 1.425 115 567.50 1.420 89 566.77 1.419 76 565.80 1.416 55 563.48 1.410 37 562.87 1.409 33 560.79 1.404 107 559.08 1.399 86 556.15 1.392 81 555.54 1.391 90 552.12 1.382 92 548.95 1.374 88 545.29 1.365 98 541.87 1.356 95 537.35 1.345 46 535.28 1.340 45 478.52 1.198 1000 377.32 0.945 286 374.51 0.938 37 370.24 0.927 449 364.99 0.914 95 363.04 0.909 211 359.74 0.901 42
in CDCl3
liquid film
