Valeraldehyde(110-62-3) IR1
Product NameValeraldehyde
CAS110-62-3
Molecular FormulaC5H10O
Molecular Weight86.13
InChIInChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
InChIKey HGBOYTHUEUWSSQ-UHFFFAOYSA-N
SmilesC(=O)CCCC
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MassMS-NW-3536 valeraldehyde C5H10O (Mass of molecular ion: 86)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.9 26.0 3.4 27.0 28.2 28.0 10.5 29.0 52.3 30.0 2.2 31.0 1.9 38.0 1.3 39.0 12.3 40.0 2.2 41.0 41.0 42.0 11.1 43.0 18.7 44.0 100.0 45.0 12.2 53.0 1.6 55.0 4.4 56.0 2.2 57.0 19.8 58.0 31.4 59.0 1.3 60.0 2.9 67.0 1.1 68.0 1.0 71.0 1.8 73.0 1.1 85.0 1.2 86.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O 0.04 ml : 0.5 ml CDCl3 valeraldehyde 
Assign. Shift(ppm)
A 9.763 B 2.419 C 1.59 D 1.35 E 0.930 J(A,B)=1.9HZ.
Hz ppm Int.876.34 9.785 456 874.51 9.765 921 872.61 9.744 514 226.17 2.526 125 225.22 2.515 125 224.27 2.505 167 223.32 2.494 133 222.44 2.484 66 221.34 2.472 45 220.83 2.466 53 220.39 2.461 63 219.43 2.451 144 218.55 2.441 347 217.82 2.433 266 216.72 2.420 345 214.31 2.393 43 213.72 2.387 37 212.77 2.376 61 211.67 2.364 242 211.23 2.359 229 209.77 2.343 254 209.33 2.338 242 161.13 1.800 38 160.77 1.796 41 159.89 1.786 43 159.45 1.781 53 159.01 1.776 55 156.52 1.748 31 155.05 1.732 60 154.10 1.721 106 153.08 1.710 161 151.83 1.696 49 150.66 1.683 131 150.15 1.677 81 149.34 1.668 65 147.88 1.652 76 147.07 1.643 168 146.48 1.636 189 145.46 1.625 216 144.95 1.619 174 143.70 1.605 145 142.82 1.595 118 141.28 1.578 78 140.26 1.567 156 139.38 1.557 199 138.79 1.550 278 138.35 1.545 269 137.62 1.537 189 136.08 1.520 158 135.72 1.516 158 134.77 1.505 86 133.37 1.490 216 132.93 1.485 183 132.28 1.477 317 131.62 1.470 244 131.10 1.464 192 130.66 1.459 147 129.79 1.450 89 127.51 1.424 166 126.86 1.417 179 126.20 1.410 257 125.54 1.402 200 124.44 1.390 249 123.12 1.375 104 122.17 1.365 112 121.80 1.360 112 121.07 1.352 123 120.26 1.343 198 119.60 1.336 152 117.63 1.314 235 116.02 1.296 119 114.70 1.281 84 114.18 1.275 114 111.40 1.244 202 109.94 1.228 96 105.62 1.180 41 104.66 1.169 117 91.99 1.028 35 90.60 1.012 422 89.50 1.000 525 88.77 0.992 521 88.04 0.984 300 86.57 0.967 111 86.13 0.962 103 85.18 0.952 80 84.74 0.947 89 83.06 0.928 1000 81.67 0.912 405 80.57 0.900 253 79.69 0.890 179 78.81 0.880 130 78.30 0.875 94 77.71 0.868 118 77.12 0.862 191 75.73 0.846 280 75.29 0.841 209 74.27 0.830 92 73.68 0.823 150 73.32 0.819 118
in CDCl3
liquid film
