(E)-2-Octenal(2548-87-0) MS
Product Name(E)-2-Octenal
CAS2548-87-0
Molecular FormulaC8H14O
Molecular Weight126.2
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
InChIKey LVBXEMGDVWVTGY-VOTSOKGWSA-N
SmilesC(=O)/C=C/CCCCC
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MassMS-NW-7545 trans-2-octenal C8H14O (Mass of molecular ion: 126)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 3.1 18.0 1.5 26.0 3.2 27.0 42.1 28.0 6.0 29.0 73.8 30.0 1.8 31.0 2.8 38.0 2.8 39.0 42.1 40.0 8.1 41.0 100.0 42.0 41.9 43.0 19.3 44.0 3.1 45.0 6.1 47.0 1.5 50.0 2.1 51.0 4.2 52.0 2.0 53.0 11.1 54.0 5.4 55.0 84.6 56.0 19.7 57.0 52.2 58.0 13.1 59.0 2.1 60.0 2.1 63.0 1.1 65.0 2.5 66.0 2.3 67.0 20.8 68.0 9.8 69.0 31.9 70.0 70.7 71.0 11.9 72.0 1.7 73.0 5.6 75.0 1.3 77.0 2.6 78.0 1.1 79.0 6.7 80.0 3.2 81.0 5.5 82.0 34.1 83.0 61.8 84.0 18.0 85.0 3.1 91.0 1.4 93.0 8.1 95.0 5.1 96.0 1.1 97.0 13.7 98.0 9.0 99.0 1.8 101.0 3.9 103.0 2.3 108.0 4.2 109.0 1.0 111.0 2.9 125.0 1.7 126.0 1.1 129.0 2.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O 0.05 ml : 0.5 ml CDCl3 trans-2-octenal 
Assign. Shift(ppm)
A 9.502 B 6.857 C 6.123 D 2.33 E 1.69 to 1.19 F 0.90 J(B,C)=15.6HZ J(C,A)=7.8HZ J(C,D)=1.4HZ
Hz ppm Int.855.06 9.548 863 851.13 9.504 39 847.31 9.461 920 630.50 7.040 125 623.81 6.966 256 617.13 6.891 149 614.94 6.867 190 608.25 6.792 391 601.56 6.717 222 559.88 6.252 172 558.44 6.236 327 557.06 6.220 175 552.06 6.165 165 550.69 6.149 315 549.25 6.133 169 544.25 6.077 107 542.88 6.062 215 541.44 6.046 121 536.50 5.991 102 535.06 5.975 202 533.63 5.959 113 221.44 2.473 64 220.00 2.457 93 219.25 2.449 85 218.44 2.440 85 217.88 2.433 85 213.44 2.384 269 212.56 2.374 251 209.75 2.343 145 209.44 2.339 144 206.44 2.306 318 202.25 2.259 96 199.94 2.233 158 198.94 2.222 130 198.38 2.216 126 194.81 2.176 32 194.19 2.169 30 124.19 1.387 766 86.44 0.966 364 80.94 0.904 1000 75.00 0.838 268
in CDCl3
liquid film
