TRANS-2-OCTENOIC ACID(1470-50-4) IR2
Product NameTRANS-2-OCTENOIC ACID
CAS1470-50-4
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey CWMPPVPFLSZGCY-UHFFFAOYSA-N
SmilesC(O)(=O)C=CCCCCC
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MassMS-NW-1302 2-octenoic acid C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.0 18.0 2.6 26.0 2.9 27.0 40.1 28.0 3.9 29.0 83.0 30.0 2.0 31.0 2.8 38.0 2.7 39.0 39.2 40.0 9.2 41.0 95.9 42.0 51.3 43.0 24.2 44.0 1.9 45.0 9.3 50.0 1.8 51.0 3.8 52.0 2.0 53.0 13.7 54.0 9.2 55.0 71.3 56.0 30.7 57.0 25.8 58.0 4.9 59.0 1.3 60.0 7.0 61.0 1.4 65.0 2.3 66.0 1.9 67.0 19.9 68.0 22.2 69.0 10.9 70.0 72.9 71.0 11.0 72.0 1.6 73.0 100.0 74.0 7.5 77.0 1.2 79.0 1.4 80.0 1.5 81.0 10.4 82.0 44.8 83.0 16.4 84.0 1.4 85.0 2.8 86.0 37.6 87.0 17.5 88.0 1.9 95.0 5.9 96.0 21.4 97.0 3.3 99.0 35.9 100.0 14.8 101.0 3.3 109.0 1.6 113.0 6.8 114.0 1.7 124.0 15.8 125.0 3.1 127.0 2.1 142.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O2 0.04 ml : 0.5 ml CDCl3 2-octenoic acid 
Assign. Shift(ppm)
A 11.1 B 7.09 C 5.829 D 2.24 E 1.47 F 1.45 to 1.16 G 0.90 J(B,C)=15.6HZ J(C,D)=-1.5HZ
Hz ppm Int.988.99 11.043 81 643.60 7.187 300 636.68 7.109 147 634.89 7.089 165 627.97 7.012 392 621.04 6.935 189 530.55 5.924 215 529.02 5.907 534 527.48 5.890 236 514.92 5.750 173 513.38 5.733 426 511.84 5.716 179 209.95 2.345 65 209.09 2.335 61 208.75 2.331 59 207.98 2.323 60 207.64 2.319 60 206.70 2.308 67 203.37 2.271 203 202.94 2.266 203 202.60 2.263 201 196.88 2.199 253 195.68 2.185 234 192.52 2.150 65 190.04 2.122 117 188.84 2.109 101 146.46 1.636 42 146.03 1.631 44 142.36 1.590 48 141.85 1.584 55 141.59 1.581 55 139.28 1.556 116 136.63 1.526 92 136.21 1.521 94 131.08 1.464 209 125.70 1.404 283 122.28 1.366 636 121.25 1.354 664 119.89 1.339 618 118.26 1.321 498 116.38 1.300 424 114.25 1.276 267 112.11 1.252 210 110.74 1.237 186 110.31 1.232 185 108.61 1.213 153 105.36 1.177 59 103.99 1.162 43 103.56 1.157 43 102.11 1.141 43 90.23 1.008 47 85.62 0.957 295 80.15 0.895 1000 74.08 0.828 194 70.32 0.786 71
CCl4 solution
liquid film
4880 A,150M,liquid
