Cyclobutanol(2919-23-5) MS
Product NameCyclobutanol
CAS2919-23-5
Molecular FormulaC4H8O
Molecular Weight72.11
InChIInChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2
InChIKey KTHXBEHDVMTNOH-UHFFFAOYSA-N
SmilesC1(O)CCC1
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MassMS-NW-1485 cyclobutanol C4H8O (Mass of molecular ion: 72)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.5 18.0 1.3 26.0 2.7 27.0 10.7 28.0 2.6 29.0 5.8 31.0 6.2 38.0 1.3 39.0 7.6 41.0 5.3 42.0 5.3 43.0 31.0 44.0 100.0 45.0 6.4 50.0 1.0 53.0 1.8 54.0 1.2 55.0 9.4 57.0 2.4 70.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H8 O 0.04 ml : 0.5 ml CDCl3 cyclobutanol 
Assign. Shift(ppm)
A 4.23 B 2.46 C 2.24 D 2.10 to 1.11
Hz ppm Int.392.38 4.382 36 385.44 4.304 84 384.38 4.292 42 378.25 4.224 136 371.56 4.149 84 370.50 4.137 107 363.94 4.064 32 363.13 4.055 41 220.38 2.461 1000 216.94 2.423 39 215.63 2.408 37 214.94 2.400 50 212.69 2.375 41 210.81 2.354 81 207.75 2.320 128 207.06 2.312 100 206.38 2.305 99 205.31 2.293 105 204.38 2.283 65 203.69 2.275 67 202.88 2.266 73 202.25 2.259 51 200.69 2.241 138 199.38 2.227 153 198.25 2.214 143 196.19 2.191 57 195.25 2.181 42 194.38 2.171 49 193.75 2.164 67 192.38 2.149 122 191.13 2.135 53 190.13 2.123 39 189.50 2.116 41 186.81 2.086 52 185.13 2.068 30 182.06 2.033 47 179.75 2.008 73 178.63 1.995 94 177.31 1.980 61 176.44 1.971 46 175.94 1.965 39 174.31 1.947 58 173.56 1.938 31 172.50 1.927 55 171.88 1.920 51 170.88 1.908 103 170.31 1.902 100 168.56 1.883 135 167.50 1.871 74 164.56 1.838 55 163.38 1.825 51 162.63 1.816 81 161.25 1.801 114 159.88 1.786 131 159.06 1.777 108 158.44 1.770 80 156.94 1.753 62 156.13 1.744 61 154.75 1.728 103 154.13 1.721 120 152.44 1.703 88 150.63 1.682 134 149.25 1.667 31 148.38 1.657 49 148.06 1.654 48 146.81 1.640 47 145.94 1.630 68 144.94 1.619 45 144.31 1.612 52 143.69 1.605 45 142.69 1.594 75 141.50 1.580 97 140.00 1.564 96 138.63 1.548 61 136.38 1.523 41 135.06 1.509 31 134.13 1.498 37 133.25 1.488 51 131.44 1.468 71 130.63 1.459 59 130.06 1.453 56 129.06 1.442 52 124.75 1.393 40 120.88 1.350 53 120.50 1.346 52 108.75 1.215 34 102.63 1.146 41
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
