2-ETHYL-2-HEXENAL(645-62-5) 1H NMR
Product Name2-ETHYL-2-HEXENAL
CAS645-62-5
Molecular FormulaC8H14O
Molecular Weight126.2
InChIInChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3
InChIKey PYLMCYQHBRSDND-UHFFFAOYSA-N
SmilesC(=O)C(CC)=CCCC
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MassMS-IW-5636 2-ethyl-2-hexenal C8H14O (Mass of molecular ion: 126)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.1 27.0 18.5 28.0 2.7 29.0 21.1 31.0 1.2 38.0 1.5 39.0 22.8 40.0 3.9 41.0 62.1 42.0 10.9 43.0 33.4 44.0 1.9 45.0 1.5 50.0 2.0 51.0 4.9 52.0 2.1 53.0 12.7 54.0 3.5 55.0 100.0 56.0 16.3 57.0 31.4 58.0 2.1 63.0 1.5 65.0 4.7 66.0 3.0 67.0 21.9 68.0 5.6 69.0 24.9 70.0 9.9 71.0 6.9 72.0 2.9 77.0 14.6 78.0 2.7 79.0 17.4 80.0 2.2 81.0 7.7 82.0 2.3 83.0 20.7 84.0 8.4 85.0 12.6 91.0 10.6 92.0 1.1 93.0 25.6 94.0 2.1 95.0 5.9 96.0 1.7 97.0 63.7 98.0 8.1 107.0 1.5 108.0 5.7 109.0 1.7 111.0 30.5 112.0 3.0 125.0 3.1 126.0 52.6 127.0 6.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O 0.04 ml : 0.5 ml CDCl3 2-ethyl-2-hexenal 
Assign. Shift(ppm)
A 9.367 B 6.428 C *1 2.32 D *1 2.29 E 1.53 F 0.99 G 0.97
Hz ppm Int.838.92 9.368 457 583.23 6.513 89 575.83 6.430 182 568.36 6.347 95 221.19 2.470 79 214.45 2.395 282 212.04 2.368 61 211.38 2.361 67 210.21 2.348 62 209.69 2.342 51 207.06 2.312 490 204.49 2.284 79 204.20 2.281 80 202.44 2.261 51 199.51 2.228 373 197.02 2.200 51 192.04 2.145 111 150.59 1.682 63 149.49 1.670 103 144.07 1.609 89 142.60 1.593 159 141.65 1.582 111 136.89 1.529 88 135.64 1.515 128 134.62 1.504 174 133.37 1.490 49 129.35 1.445 76 127.66 1.426 137 95.87 1.071 231 94.78 1.059 501 94.19 1.052 638 91.85 1.026 222 89.79 1.003 69 88.26 0.986 719 86.94 0.971 1000 85.47 0.955 271 84.52 0.944 180 81.59 0.912 161 80.49 0.899 253 79.17 0.884 402 76.54 0.855 61 76.17 0.851 56
in CDCl3
CCl4 solution
liquid film
