5-Hexen-1-ol(821-41-0) MS
Product Name5-Hexen-1-ol
CAS821-41-0
Molecular FormulaC6H12O
Molecular Weight100.16
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
InChIKey UIZVMOZAXAMASY-UHFFFAOYSA-N
SmilesC(O)CCCC=C
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MassMS-IW-9135 5-hexen-1-ol C6H12O (Mass of molecular ion: 100)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 18.0 2.7 26.0 1.8 27.0 17.5 28.0 8.0 29.0 17.9 30.0 1.5 31.0 46.2 32.0 1.1 38.0 2.1 39.0 32.5 40.0 6.2 41.0 66.5 42.0 33.5 43.0 13.2 44.0 13.5 45.0 4.1 50.0 1.8 51.0 2.8 52.0 1.4 53.0 10.5 54.0 92.5 55.0 21.3 56.0 10.3 57.0 42.2 58.0 4.3 59.0 1.7 65.0 3.4 66.0 1.5 67.0 100.0 68.0 6.1 69.0 3.1 70.0 1.4 71.0 9.1 72.0 5.1 77.0 1.3 79.0 3.5 80.0 1.1 81.0 10.3 82.0 32.7 83.0 2.8 85.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O 0.05 ml : 0.5 ml CDCl3 5-hexen-1-ol 
Assign. Shift(ppm)
A 5.807 B 5.011 C 4.953 D 3.611 E 2.76 F 2.077 G 1.568 J 1.457
Hz ppm Int.2341.92 5.860 227 2335.33 5.844 470 2331.79 5.835 260 2328.61 5.827 256 2325.07 5.818 672 2318.24 5.801 673 2314.70 5.792 285 2311.52 5.784 282 2307.98 5.776 558 2301.27 5.759 276 2013.79 5.039 425 2012.21 5.035 855 2011.72 5.034 629 2010.62 5.031 564 2010.13 5.030 1000 2008.54 5.026 496 2006.71 5.022 48 1996.70 4.997 404 1995.12 4.993 823 1994.63 4.991 574 1993.53 4.989 538 1993.04 4.987 911 1991.46 4.984 464 1989.99 4.980 73 1989.62 4.979 66 1988.89 4.977 56 1987.92 4.975 68 1986.45 4.971 446 1985.11 4.968 831 1984.01 4.965 615 1983.03 4.962 752 1981.81 4.959 407 1979.37 4.953 55 1978.52 4.951 56 1976.20 4.945 430 1974.98 4.942 816 1973.75 4.939 586 1972.90 4.937 715 1971.68 4.934 378 1443.12 3.611 722 1442.63 3.610 721 1442.02 3.609 722 1102.29 2.759 636 842.65 2.109 301 841.31 2.106 459 839.97 2.102 313 833.98 2.087 895 827.03 2.070 922 821.29 2.056 337 819.95 2.052 484 818.60 2.049 331 817.50 2.046 145 642.46 1.608 251 641.36 1.605 226 639.65 1.601 73 639.28 1.600 71 635.99 1.592 663 635.25 1.590 555 634.64 1.588 587 631.35 1.580 283 629.39 1.575 723 628.91 1.574 813 627.81 1.571 663 627.08 1.570 654 626.22 1.567 617 625.24 1.565 397 624.63 1.563 425 622.80 1.559 401 620.48 1.553 935 619.75 1.551 945 618.53 1.548 266 617.92 1.547 254 614.01 1.537 456 613.28 1.535 394 611.82 1.531 119 606.20 1.517 41 601.68 1.506 59 599.12 1.500 45 596.92 1.494 136 595.21 1.490 341 594.36 1.488 421 592.29 1.483 97 590.21 1.477 372 587.16 1.470 809 586.06 1.467 548 583.01 1.459 477 580.20 1.452 942 578.86 1.449 712 575.32 1.440 291 574.22 1.437 212 572.88 1.434 464 571.53 1.431 518 568.12 1.422 47 567.50 1.420 44 565.55 1.416 164 564.33 1.413 175
in CDCl3
liquid film
