(E)-tridec-2-enoic acid (32466-55-0) MS
Product Name(E)-tridec-2-enoic acid
CAS32466-55-0
Molecular FormulaC13H24O2
Molecular Weight212.33
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/b12-11+
InChIKey GQVYBECSNBLQJV-VAWYXSNFSA-N
SmilesC(O)(=O)/C=C/CCCCCCCCCC
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MassMS-NW-2475 trans-2-tridecenoic acid C13H24O2 (Mass of molecular ion: 212)
Source Temperature: 210 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.5 26.0 1.1 27.0 24.4 28.0 5.2 29.0 47.6 30.0 1.1 31.0 1.3 39.0 20.1 40.0 4.3 41.0 72.3 42.0 18.0 43.0 100.0 44.0 3.3 45.0 3.7 51.0 1.3 53.0 9.9 54.0 11.2 55.0 53.8 56.0 37.6 57.0 44.6 58.0 2.4 59.0 1.6 60.0 11.3 61.0 2.6 65.0 1.5 66.0 1.8 67.0 17.8 68.0 16.5 69.0 40.2 70.0 30.7 71.0 18.8 72.0 1.1 73.0 57.1 74.0 3.1 77.0 1.1 79.0 3.1 80.0 2.7 81.0 18.7 82.0 19.8 83.0 27.9 84.0 27.0 85.0 8.9 86.0 23.2 87.0 9.8 88.0 1.1 93.0 1.5 94.0 3.5 95.0 13.4 96.0 19.9 97.0 26.3 98.0 22.5 99.0 26.9 100.0 8.3 101.0 8.0 102.0 1.5 107.0 1.0 108.0 2.1 109.0 7.0 110.0 14.1 111.0 13.0 112.0 7.4 113.0 12.6 114.0 11.3 115.0 6.0 116.0 2.3 119.0 1.5 121.0 1.0 123.0 7.1 124.0 6.3 125.0 3.7 126.0 3.9 127.0 9.8 128.0 2.2 129.0 5.7 130.0 1.6 133.0 1.5 134.0 1.8 137.0 5.3 138.0 4.1 139.0 1.7 140.0 5.9 141.0 1.8 143.0 3.3 144.0 2.5 147.0 1.0 150.0 6.1 151.0 4.2 152.0 11.6 153.0 2.4 155.0 1.3 165.0 2.1 166.0 1.1 169.0 1.3 176.0 1.8 186.0 1.2 194.0 6.4 195.0 1.6 212.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H24 O2 0.042 g : 0.5 ml CDCl3 trans-2-tridecenoic acid 
Assign. Shift(ppm)
A 11.4 B 7.10 C 5.824 D 2.21 E 1.59 to 1.39 F 1.26 G 0.88 J(B,C)=15.6HZ
Hz ppm Int.643.43 7.185 52 634.72 7.088 30 627.80 7.010 65 620.96 6.934 32 530.13 5.920 39 528.76 5.904 83 527.31 5.888 39 514.66 5.747 31 513.12 5.730 66 511.76 5.715 33 203.11 2.268 49 202.60 2.263 48 201.75 2.253 44 199.78 2.231 32 199.27 2.225 34 196.28 2.192 57 135.78 1.517 30 135.35 1.512 30 134.75 1.505 31 134.33 1.500 34 133.30 1.489 39 132.70 1.482 42 130.48 1.457 54 129.97 1.452 55 129.63 1.448 53 128.86 1.439 55 128.00 1.430 57 125.52 1.402 67 113.22 1.265 1000 102.80 1.148 57 101.60 1.135 48 98.78 1.103 37 97.50 1.089 34 97.07 1.084 34 96.39 1.077 34 95.79 1.070 33 95.19 1.063 32 87.84 0.981 31 84.08 0.939 76 83.48 0.933 74 82.89 0.926 71 82.54 0.922 71 81.60 0.912 71 80.92 0.904 73 78.96 0.882 192 72.97 0.815 55 70.41 0.787 32
in CDCl3
CCl4 solution
liquid film
