1-Pentanol(71-41-0) 13C NMR
Product Name1-Pentanol
CAS71-41-0
Molecular FormulaC5H12O
Molecular Weight88.15
InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey AMQJEAYHLZJPGS-UHFFFAOYSA-N
SmilesC(O)CCCC
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MassMS-NW-1066 1-pentanol C5H12O (Mass of molecular ion: 88)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.4 26.0 1.7 27.0 17.7 28.0 3.3 29.0 38.1 30.0 1.0 31.0 43.3 39.0 11.1 40.0 2.1 41.0 50.9 42.0 100.0 43.0 21.1 44.0 2.5 45.0 4.8 53.0 1.6 54.0 1.2 55.0 65.1 56.0 15.3 57.0 21.3 58.0 1.9 60.0 1.3 69.0 5.8 70.0 51.0 71.0 4.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C5 H12 O 0.05 ml : 0.5 ml CDCl3 1-pentanol 
Assign. Shift(ppm)
A 3.596 B 3.05 C 1.558 D 1.34 E 1.32 F 0.910
Hz ppm Int.1450.32 3.629 30 1444.09 3.614 551 1437.26 3.597 956 1430.54 3.580 563 1217.16 3.046 779 636.84 1.594 74 635.01 1.589 59 632.08 1.582 78 629.76 1.576 211 627.93 1.572 152 626.83 1.569 136 625.12 1.565 140 622.68 1.559 297 620.97 1.554 206 620.12 1.552 181 618.29 1.548 134 615.60 1.541 240 608.89 1.524 89 552.61 1.383 35 550.29 1.377 45 549.07 1.374 51 546.02 1.367 84 544.92 1.364 90 543.70 1.361 98 537.35 1.345 546 535.89 1.341 290 533.81 1.336 454 531.98 1.332 384 529.91 1.326 708 526.73 1.318 393 522.83 1.309 297 519.65 1.301 112 517.09 1.294 68 514.65 1.288 52 510.86 1.279 30 379.39 0.950 30 375.49 0.940 48 372.68 0.933 78 371.34 0.930 93 369.63 0.925 379 367.43 0.920 235 364.50 0.913 340 362.55 0.908 1000 357.30 0.895 233 355.35 0.890 394 349.73 0.876 54
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1H NMR 89.56 MHz C5 H12 O 0.04 ml : 0.5 ml CDCl3 1-pentanol Assign. Shift(ppm)
A 3.63 B 2.35 C 1.57 D 1.35 E 0.91
Hz ppm Int.329.69 3.682 183 323.50 3.613 416 317.19 3.542 247 210.38 2.350 321 202.63 2.263 31 153.69 1.717 49 151.31 1.690 54 149.06 1.665 75 146.81 1.640 154 144.44 1.613 108 142.50 1.592 134 140.13 1.565 251 139.56 1.559 246 137.69 1.538 184 134.63 1.504 247 133.19 1.488 269 128.50 1.435 265 127.25 1.421 286 124.44 1.390 666 121.81 1.361 537 119.31 1.333 474 117.75 1.315 465 116.19 1.298 375 114.06 1.274 291 112.88 1.261 267 110.38 1.233 245 104.75 1.170 66 104.38 1.166 67 102.94 1.150 52 101.25 1.131 45 100.94 1.128 46 100.31 1.121 46 99.75 1.114 49 98.94 1.105 44 98.13 1.096 40 97.75 1.092 39 96.69 1.080 41 96.19 1.075 41 95.63 1.068 41 94.88 1.060 38 94.50 1.056 38 93.56 1.045 36 87.63 0.979 297 86.88 0.971 336 85.25 0.952 247 81.38 0.909 1000 75.44 0.843 241 73.94 0.826 176 72.44 0.809 100 71.50 0.799 96
in CDCl3
liquid film
4880 A,150M,liquid
