2-Methyl-3-pentanol(565-67-3) MS
Product Name2-Methyl-3-pentanol
CAS565-67-3
Molecular FormulaC6H14O
Molecular Weight102.17
InChIInChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3
InChIKey ISTJMQSHILQAEC-UHFFFAOYSA-N
SmilesCC(C)C(O)CC
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MassMS-NW-5456 2-methyl-3-pentanol C6H14O (Mass of molecular ion: 102)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.4 27.0 10.9 28.0 2.1 29.0 9.0 30.0 1.2 31.0 36.7 39.0 6.8 40.0 1.2 41.0 25.4 42.0 3.1 43.0 15.4 45.0 11.9 53.0 1.2 55.0 22.8 56.0 2.7 57.0 7.1 58.0 16.2 59.0 100.0 60.0 3.5 69.0 4.3 72.0 1.4 73.0 42.3 74.0 1.9 84.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C6 H14 O 0.04 ml : 0.5 ml CDCl3 2-methyl-3-pentanol 
Assign. Shift(ppm)
A 3.272 B 1.88 to 1.19 C 1.51 D 0.93 E 0.92 400MHZ : HSP-41-221
Hz ppm Int.301.94 3.372 45 296.94 3.316 60 294.44 3.288 52 292.44 3.266 49 289.69 3.235 74 284.81 3.181 50 153.63 1.716 40 152.00 1.698 40 148.06 1.654 39 146.75 1.639 51 145.25 1.622 47 143.56 1.603 44 141.56 1.581 40 141.19 1.577 41 139.81 1.562 86 138.75 1.550 39 137.31 1.534 43 136.00 1.519 88 134.94 1.507 851 131.88 1.473 84 129.88 1.451 56 129.19 1.443 87 128.38 1.434 62 127.38 1.423 78 124.81 1.394 45 123.00 1.374 64 121.44 1.356 75 120.69 1.348 47 115.44 1.289 47 93.44 1.044 138 92.50 1.033 241 91.69 1.024 183 84.75 0.947 1000 78.13 0.873 683
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1H NMR 399.65 MHz C6 H14 O 0.05 ml : 0.5 ml CDCl3 2-methyl-3-pentanol Assign. Shift(ppm)
A 3.265 B 2.03 C 1.662 D *1 1.523 E *1 1.394 F 0.957 G *2 0.914 J *2 0.908 J(A,C)=5.3HZ. J(A,D)=3.8HZ. J(A,E)=8.4HZ. J(C,G)=J(C,J)=6.8HZ. J(D,E)=13.9HZ. J(D,F)=J(E,F)=7.5HZ.
Hz ppm Int.1313.48 3.287 72 1309.57 3.277 82 1308.35 3.274 83 1304.81 3.265 115 1301.15 3.256 81 1299.80 3.253 82 1295.90 3.243 70 812.13 2.033 38 680.18 1.702 30 674.93 1.689 38 673.34 1.685 72 668.21 1.672 79 666.63 1.669 100 661.38 1.655 100 659.79 1.651 83 654.54 1.638 76 652.95 1.634 40 647.71 1.621 33 622.68 1.559 48 618.90 1.549 51 616.46 1.543 39 615.23 1.540 56 612.55 1.533 39 611.33 1.530 59 608.76 1.524 81 607.79 1.521 37 604.98 1.514 78 603.88 1.512 37 601.32 1.505 80 597.41 1.495 77 593.75 1.486 33 589.97 1.477 32 569.82 1.426 78 568.85 1.424 39 562.50 1.408 94 561.40 1.405 82 555.79 1.391 64 555.30 1.390 63 554.08 1.387 83 548.58 1.373 57 547.36 1.370 59 540.16 1.352 47 396.12 0.992 35 394.78 0.988 38 389.77 0.976 524 382.45 0.957 933 378.66 0.948 65 375.00 0.939 462 368.41 0.922 1000 366.21 0.917 890 361.57 0.905 861 359.38 0.900 784 352.66 0.883 37
in CDCl3
liquid film
4880 A,200 M,liquid
