TRANS-2-PENTENOIC ACID(13991-37-2) IR1
Product NameTRANS-2-PENTENOIC ACID
CAS13991-37-2
Molecular FormulaC5H8O2
Molecular Weight100.12
InChIInChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InChIKey YIYBQIKDCADOSF-ONEGZZNKSA-N
SmilesC(O)(=O)/C=C/CC
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MassMS-NW-2727 trans-2-pentenoic acid C5H8O2 (Mass of molecular ion: 100)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.3 18.0 2.5 26.0 7.9 27.0 34.7 28.0 12.7 29.0 40.3 30.0 1.3 31.0 2.5 32.0 1.5 37.0 2.5 38.0 5.0 39.0 40.4 40.0 4.7 41.0 29.5 42.0 2.8 43.0 15.0 44.0 2.3 45.0 15.1 49.0 1.6 50.0 5.6 51.0 6.2 52.0 2.6 53.0 17.5 54.0 24.6 55.0 100.0 56.0 12.8 57.0 12.2 58.0 10.1 60.0 5.4 68.0 1.3 71.0 3.6 72.0 2.0 73.0 8.1 81.0 5.7 82.0 16.6 83.0 12.2 85.0 3.6 99.0 6.1 100.0 72.8 101.0 4.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H8 O2 0.05 ml : 0.5 ml CDCl3 trans-2-pentenoic acid 
Assign. Shift(ppm)
A 11.99 B 7.14 C 5.83 D 2.26 E 1.09
Hz ppm Int.1073.58 11.988 292 654.63 7.310 95 648.30 7.239 200 641.98 7.169 96 638.99 7.135 120 632.67 7.065 256 626.34 6.994 126 530.98 5.929 159 529.27 5.910 348 527.56 5.891 164 515.34 5.755 125 513.64 5.736 272 511.93 5.717 126 217.64 2.431 35 216.70 2.420 36 216.02 2.413 35 212.85 2.377 31 210.38 2.350 148 209.61 2.341 94 208.75 2.331 131 203.88 2.277 161 202.94 2.266 199 201.32 2.248 144 196.62 2.196 155 195.00 2.178 161 189.87 2.121 44 189.18 2.113 46 188.16 2.101 48 187.56 2.095 44 104.42 1.166 502 97.33 1.087 1000 89.72 1.002 369
in CDCl3
liquid film
