TRANS,CIS-3,6-NONADIEN-1-OL(56805-23-3) MS
Product NameTRANS,CIS-3,6-NONADIEN-1-OL
CAS56805-23-3
Molecular FormulaC9H16O
Molecular Weight140.22
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6+
InChIKey PICGPEBVZGCYBV-WWVFNRLHSA-N
SmilesC(O)C/C=C/C/C=C\CC
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MassMS-IW-6969 trans,cis-3,6-nonadien-1-ol C9H16O (Mass of molecular ion: 140)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 4.0 27.0 13.9 28.0 4.2 29.0 13.8 31.0 10.5 38.0 1.0 39.0 21.6 40.0 3.4 41.0 44.0 42.0 3.8 43.0 9.9 50.0 1.7 51.0 5.1 52.0 2.8 53.0 14.4 54.0 14.8 55.0 42.8 56.0 4.3 57.0 4.9 58.0 2.1 63.0 1.6 65.0 9.5 66.0 5.5 67.0 100.0 68.0 30.4 69.0 9.5 70.0 6.8 71.0 8.8 72.0 3.8 77.0 23.4 78.0 5.2 79.0 48.1 80.0 14.9 81.0 32.7 82.0 4.8 83.0 5.0 84.0 8.4 85.0 1.4 86.0 1.0 91.0 23.4 92.0 3.9 93.0 56.5 94.0 10.5 95.0 10.3 96.0 13.0 97.0 6.6 98.0 9.6 105.0 3.4 107.0 16.3 108.0 1.7 109.0 18.2 110.0 3.0 111.0 4.2 112.0 2.1 122.0 17.3 123.0 1.9 140.0 6.7
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-3,6-nonadien-1-ol 
Assign. Shift(ppm)
A 5.52 B 5.44 C 5.42 D 5.34 E 3.607 F 2.759 G 2.37 J 2.260 K 2.044 L 0.962
Hz ppm Int.2224.24 5.566 42 2219.24 5.553 47 2218.02 5.550 77 2217.04 5.548 42 2211.91 5.535 41 2210.08 5.531 47 2208.98 5.528 76 2207.76 5.525 45 2203.86 5.515 87 2202.76 5.512 151 2201.66 5.509 88 2197.63 5.499 49 2196.66 5.497 84 2195.80 5.495 51 2182.74 5.462 36 2181.15 5.458 81 2179.81 5.455 93 2178.47 5.451 45 2175.54 5.444 74 2174.32 5.441 157 2173.10 5.438 177 2171.75 5.435 103 2170.65 5.432 80 2169.07 5.428 64 2167.48 5.424 86 2166.26 5.421 105 2164.79 5.417 125 2163.57 5.414 152 2162.35 5.411 96 2159.06 5.403 55 2157.84 5.400 112 2156.49 5.396 113 2152.34 5.386 32 2151.00 5.383 44 2146.00 5.370 54 2144.90 5.367 78 2143.55 5.364 42 2139.04 5.353 85 2137.70 5.349 135 2136.23 5.346 74 2134.16 5.341 43 2131.96 5.335 47 2130.49 5.331 70 2128.54 5.327 53 2127.08 5.323 78 2125.61 5.319 46 2119.75 5.305 42 1448.12 3.624 348 1445.68 3.618 35 1441.65 3.608 648 1435.18 3.592 353 1109.50 2.777 126 1103.27 2.761 211 1102.66 2.760 211 1096.07 2.743 122 947.27 2.371 66 914.43 2.289 48 913.33 2.286 94 912.23 2.283 94 911.25 2.281 55 910.03 2.278 44 907.84 2.272 123 906.86 2.270 238 905.64 2.267 237 904.66 2.264 123 901.25 2.256 126 900.15 2.253 234 899.05 2.250 231 894.65 2.239 51 893.55 2.236 89 892.58 2.234 86 833.13 2.085 41 832.52 2.084 39 831.79 2.082 39 825.56 2.066 157 824.83 2.064 141 824.22 2.063 131 817.99 2.047 231 817.26 2.045 206 810.91 2.030 162 810.42 2.028 163 809.69 2.026 146 803.47 2.011 57 802.86 2.009 55 802.12 2.008 45 391.97 0.981 578 389.77 0.976 39 384.52 0.963 1000 376.95 0.944 548
in CDCl3
liquid film
