L-(+)-Isoleucinol(24629-25-2) 1H NMR
Product NameL-(+)-Isoleucinol
CAS24629-25-2
Molecular FormulaC6H15NO
Molecular Weight117.19
InChIInChI=1S/C6H15NO/c1-3-5(2)6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t5-,6+/m0/s1
InChIKey VTQHAQXFSHDMHT-NTSWFWBYSA-N
SmilesC(O)[C@@H](N)[C@@H](C)CC
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MassMS-NW-5638 L-2-amino-3-methyl-1-pentanol C6H15NO (Mass of molecular ion: 117)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.6 17.0 1.8 18.0 9.4 27.0 7.6 28.0 11.5 29.0 10.7 30.0 40.6 31.0 4.1 39.0 5.6 41.0 22.7 42.0 23.3 43.0 6.0 44.0 16.4 45.0 1.2 53.0 1.9 54.0 2.5 55.0 6.4 56.0 9.6 57.0 8.1 58.0 5.7 59.0 2.0 60.0 100.0 61.0 2.9 67.0 1.2 68.0 1.8 69.0 17.7 70.0 6.4 71.0 3.6 72.0 2.7 74.0 11.2 83.0 1.1 84.0 3.7 85.0 2.4 86.0 78.3 87.0 5.0 98.0 1.5 100.0 9.7 126.0 1.3 128.0 3.7 154.0 1.7 168.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C6 H15 N O 0.043 g : 0.5 ml CDCl3 L-2-amino-3-methyl-1-pentanol 
Assign. Shift(ppm)
A *1 3.63 B *1 3.32 C 2.66 D 2.24 E 1.60 to 1.16 F 0.90 G 0.89 400MHZ. : HSP-40-450
Hz ppm Int.334.44 3.735 44 333.63 3.726 44 331.19 3.698 47 330.88 3.695 46 330.38 3.689 47 329.81 3.683 45 324.00 3.618 73 322.81 3.605 66 321.25 3.587 77 320.75 3.582 76 320.44 3.578 78 319.94 3.573 77 318.56 3.557 51 305.38 3.410 208 296.88 3.315 268 294.94 3.294 109 286.31 3.197 154 247.31 2.762 49 243.50 2.719 61 242.81 2.712 64 242.31 2.706 69 241.94 2.702 69 241.56 2.698 72 240.63 2.687 48 239.56 2.675 52 238.50 2.664 68 237.75 2.655 67 235.00 2.624 54 234.38 2.618 57 233.25 2.605 58 200.81 2.243 305 145.50 1.625 53 145.19 1.622 54 138.06 1.542 74 137.13 1.532 65 136.50 1.525 63 135.88 1.518 59 134.69 1.504 54 134.13 1.498 61 133.56 1.492 59 132.50 1.480 48 130.94 1.463 77 129.56 1.447 76 128.06 1.430 113 127.75 1.427 112 126.06 1.408 74 125.75 1.405 72 124.56 1.391 68 124.19 1.387 74 123.56 1.380 79 122.00 1.363 106 121.19 1.354 115 119.56 1.335 81 119.00 1.329 78 118.19 1.320 67 117.06 1.308 81 116.06 1.296 73 114.75 1.282 112 112.88 1.261 94 112.50 1.257 87 111.88 1.250 89 110.50 1.234 64 110.00 1.229 50 108.44 1.211 71 107.00 1.195 53 106.31 1.188 52 105.50 1.178 61 104.88 1.172 66 102.00 1.139 59 97.94 1.094 90 96.56 1.079 58 94.44 1.055 47 92.94 1.038 97 91.88 1.026 51 91.44 1.021 54 91.06 1.017 60 87.81 0.981 328 87.38 0.976 331 86.75 0.969 363 82.06 0.917 1000 79.63 0.890 466 75.88 0.848 618 72.44 0.809 146 71.38 0.798 104 69.50 0.777 54
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1H NMR 399.65 MHz C6 H15 N O 0.04 g : 0.5 ml CDCl3 L-2-amino-3-methyl-1-pentanol Assign. Shift(ppm)
A *1 3.638 B *1 3.330 C 3.01 D 2.672 E *2 1.500 F *2 1.391 G 1.172 J 0.904 K 0.881 J(A,B)=10.7HZ. J(A,D)=3.5HZ. J(B,D)=8.6HZ. J(D,G)=6.2HZ. 90MHZ. : HSP-03-555
Hz ppm Int.1461.55 3.658 188 1458.01 3.649 191 1450.81 3.631 220 1447.27 3.622 214 1340.21 3.354 222 1331.67 3.333 237 1329.47 3.327 194 1320.92 3.306 199 1202.03 3.008 103 1077.03 2.695 89 1073.49 2.687 96 1070.80 2.680 98 1068.48 2.674 106 1067.26 2.671 111 1064.94 2.665 88 1062.26 2.658 93 1058.59 2.649 83 612.79 1.534 51 608.89 1.524 59 607.06 1.519 33 605.22 1.515 59 603.15 1.510 36 601.32 1.505 69 599.49 1.501 65 597.90 1.497 35 595.58 1.491 73 593.87 1.486 38 591.92 1.482 61 588.01 1.472 72 580.69 1.453 30 568.12 1.422 44 564.21 1.412 36 561.65 1.406 62 559.33 1.400 54 557.74 1.396 51 555.18 1.390 70 552.73 1.384 66 551.15 1.380 46 548.71 1.373 60 546.14 1.367 47 542.24 1.357 39 482.54 1.208 75 481.32 1.205 32 476.68 1.193 38 475.22 1.190 87 473.75 1.186 67 469.24 1.175 69 468.02 1.172 63 466.31 1.167 73 461.91 1.156 73 460.33 1.152 59 459.35 1.150 41 454.83 1.139 38 453.86 1.136 34 453.00 1.134 58 368.65 0.923 555 361.21 0.904 1000 355.22 0.889 979 353.76 0.886 496 348.39 0.872 859
in CDCl3
liquid film
