5-Chlorovaleric acid(1119-46-6) IR1
Product Name5-Chlorovaleric acid
CAS1119-46-6
Molecular FormulaC5H9ClO2
Molecular Weight136.58
InChIInChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
InChIKey YSXDKDWNIPOSMF-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCl
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MassMS-NW-3230 5-chlorovaleric acid C5H9ClO2 (Mass of molecular ion: 136)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.3 15.0 3.2 18.0 2.4 26.0 8.6 27.0 49.1 28.0 24.4 29.0 26.8 30.0 1.8 31.0 4.6 35.0 3.6 36.0 27.4 37.0 1.7 38.0 9.5 39.0 27.5 40.0 6.1 41.0 83.0 42.0 58.5 43.0 38.7 44.0 4.2 45.0 19.5 49.0 5.4 50.0 2.5 51.0 2.8 52.0 1.0 53.0 7.2 54.0 24.8 55.0 75.5 56.0 54.4 57.0 7.4 58.0 20.8 59.0 8.4 60.0 40.8 61.0 1.4 62.0 2.7 63.0 5.5 64.0 1.0 65.0 1.8 68.0 1.0 69.0 1.6 70.0 9.0 71.0 3.0 72.0 1.7 73.0 100.0 74.0 12.4 75.0 2.1 81.0 1.0 82.0 9.5 83.0 13.4 84.0 1.0 85.0 1.8 87.0 12.7 90.0 2.5 91.0 2.3 99.0 2.3 100.0 30.1 101.0 11.3 107.0 1.0 118.0 1.5 119.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 Cl O2 0.04 ml : 0.5 ml CDCl3 5-chlorovaleric acid 
Assign. Shift(ppm)
A 11.78 B 3.554 C 2.41 D 1.90 to 1.75
Hz ppm Int.1054.61 11.776 367 328.04 3.663 31 327.10 3.653 37 324.71 3.626 263 323.08 3.608 144 321.63 3.592 236 321.03 3.585 237 318.47 3.556 1000 315.65 3.525 213 313.77 3.504 192 312.40 3.489 347 309.92 3.461 52 309.24 3.453 37 226.44 2.529 37 226.01 2.524 41 224.05 2.502 102 222.77 2.488 197 219.95 2.456 146 219.43 2.451 140 218.15 2.436 145 216.19 2.414 673 213.79 2.388 256 211.40 2.361 207 209.61 2.341 286 206.70 2.308 86 205.08 2.290 36 204.57 2.285 33 203.97 2.278 32 203.37 2.271 31 178.67 1.995 49 176.71 1.974 50 176.20 1.968 45 175.60 1.961 50 174.06 1.944 72 171.58 1.916 117 169.70 1.895 371 166.63 1.861 633 165.43 1.848 404 163.12 1.822 904 160.05 1.788 629 158.00 1.765 310 156.29 1.746 275 153.64 1.716 110 150.82 1.685 81 149.19 1.666 48 148.51 1.659 41 148.08 1.654 39 146.89 1.641 52
in CDCl3
liquid film
