5-DIETHYLAMINO-2-PENTANOL(5412-69-1) MS
Product Name5-DIETHYLAMINO-2-PENTANOL
CAS5412-69-1
Molecular FormulaC9H21NO
Molecular Weight159.27
InChIInChI=1S/C9H21NO/c1-4-10(5-2)8-6-7-9(3)11/h9,11H,4-8H2,1-3H3
InChIKey OAQYRNDEOJQVBN-UHFFFAOYSA-N
SmilesCC(O)CCCN(CC)CC
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MassMS-NW-5887 5-diethylamino-2-pentanol C9H21NO (Mass of molecular ion: 159)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.5 27.0 2.9 28.0 3.0 29.0 4.2 30.0 8.5 41.0 4.2 42.0 3.9 43.0 3.8 44.0 2.3 45.0 4.3 56.0 2.9 57.0 1.4 58.0 17.6 69.0 5.5 70.0 1.1 71.0 2.1 72.0 3.5 73.0 1.1 74.0 1.4 84.0 1.4 85.0 2.7 86.0 100.0 87.0 5.8 144.0 4.3 159.0 3.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H21 N O 0.05 ml : 0.5 ml CDCl3 5-diethylamino-2-pentanol 
Assign. Shift(ppm)
A 3.700 B *1 2.632 C *1 2.48 D 2.44 E 1.7 F *2 1.71 to 1.62 G *2 1.381 J 1.157 K 1.045
Hz ppm Int.1487.06 3.721 47 1484.99 3.716 53 1480.83 3.706 52 1478.64 3.700 78 1476.07 3.694 51 1472.29 3.684 57 1469.85 3.678 46 1070.68 2.680 47 1063.48 2.662 140 1057.62 2.647 94 1056.27 2.643 151 1050.42 2.629 207 1049.07 2.625 77 1043.09 2.611 201 1035.89 2.592 73 1007.32 2.521 72 1000.12 2.503 206 993.04 2.485 220 990.11 2.478 50 987.06 2.470 170 985.96 2.468 109 982.18 2.458 114 979.86 2.452 198 977.17 2.446 176 974.61 2.439 127 972.66 2.434 118 970.58 2.429 100 968.63 2.424 46 966.19 2.418 91 691.04 1.730 39 688.48 1.723 40 687.01 1.720 43 684.57 1.713 51 677.73 1.696 58 675.42 1.691 104 672.97 1.684 45 668.58 1.673 58 664.31 1.663 65 662.23 1.658 60 660.52 1.653 60 660.03 1.652 60 657.96 1.647 65 655.52 1.641 60 653.20 1.635 58 651.25 1.630 51 647.34 1.620 54 646.12 1.617 49 642.58 1.608 58 638.92 1.599 34 637.70 1.596 35 567.75 1.421 35 563.48 1.410 33 558.84 1.399 41 554.93 1.389 63 550.42 1.378 34 546.14 1.367 48 545.17 1.365 60 541.75 1.356 33 536.25 1.342 32 469.60 1.176 65 465.70 1.166 619 459.47 1.150 596 424.80 1.063 637 417.60 1.045 1000 410.28 1.027 585
in CDCl3
liquid film
