Cyclopentanecarboxylic acid(3400-45-1) Raman
Product NameCyclopentanecarboxylic acid
CAS3400-45-1
Molecular FormulaC6H10O2
Molecular Weight114.14
InChIInChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)
InChIKey JBDSSBMEKXHSJF-UHFFFAOYSA-N
SmilesC1(C(O)=O)CCCC1
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MassMS-NW-3232 cyclopentanecarboxylic acid C6H10O2 (Mass of molecular ion: 114)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.5 27.0 8.0 28.0 1.5 29.0 2.8 38.0 1.6 39.0 15.1 40.0 4.3 41.0 39.9 42.0 10.3 43.0 1.5 45.0 3.8 53.0 2.5 55.0 7.4 57.0 1.0 60.0 2.1 65.0 1.3 67.0 8.5 68.0 8.1 69.0 35.8 70.0 2.0 71.0 1.0 73.0 100.0 74.0 3.6 86.0 23.7 87.0 1.3 96.0 1.8 97.0 3.9 99.0 1.4 113.0 3.2 114.0 8.4 115.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 O2 0.04 ml : 0.5 ml CDCl3 cyclopentanecarboxylic acid 
Assign. Shift(ppm)
A 11.89 B 2.755 C 2.00 to 1.50
Hz ppm Int.1064.53 11.887 444 257.80 2.879 74 256.09 2.860 119 254.13 2.838 75 252.67 2.822 88 251.48 2.808 108 248.91 2.780 244 246.01 2.747 87 244.81 2.734 94 244.47 2.730 84 243.36 2.718 115 241.22 2.694 224 240.88 2.690 218 234.99 2.624 66 234.22 2.616 80 233.19 2.604 104 183.03 2.044 64 181.15 2.023 119 179.87 2.009 164 178.93 1.998 183 178.25 1.991 185 178.08 1.989 185 176.97 1.976 275 175.94 1.965 226 174.40 1.948 334 173.63 1.939 427 172.52 1.927 470 171.67 1.917 597 169.96 1.898 610 168.42 1.881 515 167.31 1.869 462 165.77 1.851 892 164.40 1.836 516 163.72 1.829 575 162.70 1.817 661 161.50 1.804 657 159.36 1.780 1000 156.29 1.746 522 154.58 1.726 835 154.24 1.723 836 152.61 1.704 876 149.88 1.674 928 147.83 1.651 685 146.72 1.639 579 145.78 1.628 550 144.75 1.617 493 143.13 1.599 477 141.08 1.576 313 140.22 1.566 284 139.28 1.556 212 138.43 1.546 193 136.89 1.529 147 136.38 1.523 146 135.44 1.513 129 134.33 1.500 97 133.90 1.496 100
in CDCl3
liquid film
