1-Penten-3-ol(616-25-1) MS
Product Name1-Penten-3-ol
CAS616-25-1
Molecular FormulaC5H10O
Molecular Weight86.13
InChIInChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
InChIKey VHVMXWZXFBOANQ-UHFFFAOYSA-N
SmilesC=CC(O)CC
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MassMS-NW-5671 1-penten-3-ol C5H10O (Mass of molecular ion: 86)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.0 26.0 2.3 27.0 10.9 28.0 2.6 29.0 20.0 30.0 1.0 31.0 10.4 39.0 5.2 40.0 1.6 41.0 7.6 42.0 1.0 43.0 5.4 44.0 2.5 45.0 2.2 53.0 2.8 55.0 3.7 57.0 100.0 58.0 4.8 59.0 3.6 67.0 1.9 68.0 1.9 71.0 2.1 85.0 1.3 86.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O 0.04 ml : 0.5 ml CDCl3 1-penten-3-ol 
Assign. Shift(ppm)
A 5.837 B 5.225 C 5.107 D 4.019 E 2.02 F 1.549 G 0.928 J(A,B)=17.3HZ, J(A,C)=10.1HZ, J(A,D)=6.0HZ, J(B,C)=1.9HZ, J(B,D)=J(B,C)=1.1HZ
Hz ppm Int.542.69 6.060 117 536.63 5.992 121 532.63 5.948 145 526.63 5.881 152 525.44 5.867 204 519.38 5.800 215 515.31 5.754 260 509.38 5.688 287 476.19 5.317 223 474.94 5.304 240 474.19 5.295 352 473.06 5.283 344 463.31 5.174 285 462.19 5.161 305 461.31 5.151 212 460.31 5.140 209 458.94 5.125 175 457.69 5.111 189 456.94 5.103 160 455.81 5.090 177 453.25 5.061 187 452.06 5.048 208 451.31 5.040 187 450.19 5.027 189 370.56 4.138 37 369.63 4.128 70 368.38 4.114 46 364.38 4.069 90 363.31 4.057 178 362.19 4.045 104 358.13 3.999 87 357.19 3.989 169 356.00 3.975 101 351.94 3.930 37 350.88 3.918 65 349.63 3.904 39 181.25 2.024 877 155.38 1.735 52 153.94 1.719 64 149.13 1.666 63 148.75 1.661 68 147.19 1.644 221 146.56 1.637 195 142.63 1.593 59 140.88 1.574 267 140.00 1.564 224 139.44 1.557 368 135.00 1.508 79 134.25 1.499 86 133.06 1.486 469 132.06 1.475 146 126.81 1.416 118 125.75 1.405 122 90.56 1.012 272 89.75 1.003 573 89.13 0.996 399 82.81 0.925 1000 82.13 0.918 595 75.88 0.848 181 75.13 0.839 337 73.94 0.826 211
in CDCl3
liquid film
4880 A,200 M,liquid
