TRANS-2-NONENAL(18829-56-6) 13C NMR
Product NameTRANS-2-NONENAL
CAS18829-56-6
Molecular FormulaC9H16O
Molecular Weight140.22
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+
InChIKey BSAIUMLZVGUGKX-BQYQJAHWSA-N
SmilesC(=O)/C=C/CCCCCC
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MassMS-NW-8842 trans-2-nonenal C9H16O (Mass of molecular ion: 140)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.1 27.0 28.6 28.0 5.4 29.0 44.8 30.0 1.1 39.0 29.0 40.0 5.6 41.0 84.5 42.0 34.5 43.0 100.0 44.0 4.1 51.0 2.0 52.0 1.2 53.0 9.9 54.0 16.0 55.0 89.2 56.0 37.9 57.0 56.6 58.0 9.4 65.0 2.2 66.0 3.3 67.0 23.5 68.0 11.4 69.0 51.7 70.0 86.2 71.0 12.1 72.0 12.0 73.0 1.2 77.0 2.5 78.0 1.0 79.0 8.9 80.0 4.9 81.0 24.9 82.0 6.8 83.0 67.8 84.0 35.5 85.0 5.0 91.0 1.5 93.0 14.3 94.0 6.1 95.0 3.2 96.0 28.9 97.0 16.3 98.0 14.1 99.0 1.7 107.0 5.2 109.0 3.8 111.0 8.2 112.0 2.8 122.0 3.4 123.0 1.3 141.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H16 O 0.04 ml : 0.5 ml CDCl3 trans-2-nonenal 
Assign. Shift(ppm)
A 9.507 B 6.869 C 6.129 D 2.343 E 1.50 F 1.31 G 0.89
Hz ppm Int.3803.82 9.518 585 3795.94 9.499 686 2760.69 6.908 109 2753.73 6.891 215 2746.95 6.874 116 2744.93 6.869 119 2738.16 6.852 242 2731.38 6.835 122 2462.31 6.162 102 2460.84 6.158 191 2459.38 6.154 99 2454.43 6.142 101 2452.97 6.138 195 2451.32 6.134 98 2446.74 6.123 92 2445.27 6.119 174 2443.81 6.115 90 2438.86 6.103 86 2437.40 6.099 170 2435.75 6.095 84 947.89 2.372 137 946.42 2.369 135 940.93 2.355 250 939.46 2.351 273 932.87 2.335 253 931.58 2.331 211 926.27 2.318 138 924.62 2.314 137 612.14 1.532 132 604.82 1.514 207 599.87 1.501 84 597.49 1.496 172 596.57 1.493 167 589.43 1.475 104 551.88 1.381 77 545.47 1.365 152 544.00 1.362 131 543.27 1.360 132 542.36 1.358 136 540.71 1.353 143 539.43 1.350 190 535.95 1.342 231 534.66 1.338 218 533.38 1.335 208 531.37 1.330 269 529.53 1.325 314 528.07 1.322 287 525.50 1.315 438 524.96 1.314 444 524.04 1.312 464 523.49 1.310 445 521.66 1.306 645 518.73 1.298 429 516.53 1.293 407 514.88 1.289 326 513.60 1.286 288 511.03 1.279 188 510.12 1.277 200 505.54 1.265 72 365.42 0.915 109 363.95 0.911 311 362.85 0.908 213 358.27 0.897 301 357.17 0.894 1000 350.03 0.876 337
in CDCl3
liquid film
4880 A,200 M,liquid
