TRANS,CIS-2,6-NONADIEN-1-OL(28069-72-9) 13C NMR
Product NameTRANS,CIS-2,6-NONADIEN-1-OL
CAS28069-72-9
Molecular FormulaC9H16O
Molecular Weight140.22
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3/b4-3-,8-7+
InChIKey AMXYRHBJZOVHOL-ODYTWBPASA-N
SmilesC(O)/C=C/CC/C=C\CC
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MassMS-IW-6968 trans,cis-2,6-nonadien-1-ol C9H16O (Mass of molecular ion: 140)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 1.4 18.0 7.4 26.0 1.1 27.0 24.4 28.0 6.3 29.0 16.1 31.0 6.0 38.0 1.4 39.0 29.5 40.0 5.3 41.0 100.0 42.0 13.8 43.0 36.2 44.0 2.4 45.0 1.7 50.0 2.1 51.0 6.1 52.0 3.2 53.0 16.8 54.0 37.4 55.0 32.8 56.0 4.2 57.0 16.8 58.0 1.7 59.0 1.3 63.0 1.9 65.0 7.7 66.0 8.5 67.0 44.1 68.0 64.9 69.0 84.0 70.0 26.9 71.0 6.5 72.0 1.6 77.0 21.4 78.0 12.4 79.0 57.4 80.0 22.3 81.0 17.2 82.0 5.5 83.0 6.1 84.0 2.1 85.0 3.8 91.0 20.4 92.0 4.6 93.0 48.9 94.0 12.7 95.0 4.2 96.0 3.8 97.0 6.7 98.0 1.7 105.0 3.3 107.0 17.4 108.0 1.9 109.0 16.8 110.0 1.7 111.0 2.8 120.0 1.0 122.0 21.6 123.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H16 O 0.05 ml : 0.5 ml CDCl3 trans,cis-2,6-nonadien-1-ol 
Assign. Shift(ppm)
A 5.67 B 5.65 C 5.38 D 5.32 E 4.063 F 2.65 G 2.107 J 2.031 K 0.954 ASSIGNED BY H-H COSY
Hz ppm Int.2282.47 5.712 42 2272.83 5.688 75 2267.09 5.673 203 2263.55 5.664 176 2262.08 5.661 109 2258.91 5.653 265 2253.54 5.639 107 2243.53 5.614 57 2238.28 5.601 35 2165.89 5.420 38 2160.16 5.406 46 2158.94 5.403 68 2156.25 5.396 44 2155.15 5.393 69 2152.22 5.386 37 2149.17 5.378 88 2148.07 5.375 147 2141.36 5.359 96 2137.94 5.350 63 2136.72 5.347 52 2132.32 5.336 90 2131.23 5.333 113 2129.88 5.330 66 2125.85 5.320 61 2124.51 5.316 61 2123.05 5.313 41 2121.58 5.309 41 2120.48 5.306 57 2119.14 5.303 38 1625.12 4.067 341 1623.17 4.062 103 1620.48 4.055 434 1057.50 2.647 40 857.91 2.147 43 856.69 2.144 40 851.44 2.131 124 850.22 2.128 104 846.19 2.118 219 844.48 2.114 284 842.29 2.108 387 840.45 2.103 310 838.99 2.100 229 836.30 2.093 94 835.21 2.090 109 834.35 2.088 114 833.50 2.086 118 827.39 2.071 86 823.97 2.062 41 823.12 2.060 41 819.95 2.052 169 818.97 2.050 143 812.62 2.034 238 808.84 2.024 38 805.66 2.016 159 805.18 2.015 163 804.57 2.014 150 798.22 1.998 54 797.61 1.996 48 388.79 0.973 571 381.23 0.954 1000 373.66 0.935 564
in CDCl3
liquid film
