2,3-dimethylpentan-2-ol (4911-70-0) MS
Product Name2,3-dimethylpentan-2-ol
CAS4911-70-0
Molecular FormulaC7H16O
Molecular Weight116.2
InChIInChI=1S/C7H16O/c1-5-6(2)7(3,4)8/h6,8H,5H2,1-4H3
InChIKey YRSIFCHKXFKNME-UHFFFAOYSA-N
SmilesCC(C)(O)C(C)CC
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MassMS-IW-3509 2,3-dimethyl-2-pentanol C7H16O (Mass of molecular ion: 116)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 3.9 28.0 1.0 29.0 5.1 31.0 8.8 39.0 3.8 41.0 12.2 42.0 1.1 43.0 10.3 45.0 16.4 53.0 1.0 55.0 5.6 56.0 1.0 57.0 10.4 58.0 5.1 59.0 100.0 60.0 4.9 69.0 2.8 83.0 4.3 87.0 1.2 101.0 14.4 102.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H16 O 0.05 ml : 0.5 ml CDCl3 2,3-dimethyl-2-pentanol 
Assign. Shift(ppm)
A 1.80 B *1 1.683 C 1.308 D *2 1.151 E *2 1.141 F *1 0.95 G 0.92 J 0.893 ASSIGNED BY C-H AND H-H COSY.
Hz ppm Int.721.19 1.805 198 684.45 1.713 35 683.84 1.712 41 683.35 1.710 39 676.76 1.694 58 676.27 1.693 58 674.68 1.689 52 674.19 1.687 52 673.58 1.686 45 671.88 1.682 59 671.26 1.680 54 669.07 1.675 59 668.58 1.673 62 667.36 1.670 54 666.75 1.669 57 665.41 1.665 50 664.79 1.664 50 533.57 1.336 30 530.88 1.329 68 528.08 1.322 45 527.47 1.320 46 526.86 1.319 47 524.05 1.312 79 521.97 1.307 62 520.63 1.303 79 518.43 1.298 37 517.33 1.295 46 516.48 1.293 51 513.79 1.286 68 469.85 1.176 32 460.33 1.152 996 459.84 1.151 1000 456.54 1.143 936 456.05 1.142 922 446.53 1.118 40 395.39 0.990 47 391.36 0.980 32 388.06 0.971 79 385.01 0.964 42 383.30 0.960 49 382.20 0.957 68 377.69 0.946 117 375.98 0.941 140 373.29 0.935 508 370.85 0.928 454 369.14 0.924 204 366.94 0.919 453 359.99 0.901 719 353.03 0.884 640
in CDCl3
liquid film
