1-Butanol(71-36-3) MS
Molecular FormulaC4H10O
Molecular Weight74.12
InChIInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey LRHPLDYGYMQRHN-UHFFFAOYSA-N
SmilesC(O)CCC
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MassMS-NW-5499 1-butanol C4H10O (Mass of molecular ion: 74)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.8 19.0 2.8 26.0 3.2 27.0 32.7 28.0 12.1 29.0 16.1 31.0 83.4 32.0 1.4 33.0 7.9 38.0 1.7 39.0 11.2 40.0 3.6 41.0 65.6 42.0 31.6 43.0 59.3 44.0 3.0 45.0 6.6 55.0 14.1 56.0 100.0 57.0 5.9 73.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H10 O 0.04 ml : 0.5 ml CDCl3 1-butanol 
Assign. Shift(ppm)
A 3.626 B 2.24 C 1.53 D 1.39 E 0.94
Hz ppm Int.331.50 3.702 237 325.13 3.631 671 318.81 3.560 323 200.31 2.237 562 152.25 1.700 36 150.06 1.676 30 148.63 1.660 43 145.88 1.629 95 143.94 1.608 85 139.06 1.553 194 137.13 1.532 270 133.81 1.495 330 132.13 1.476 285 130.06 1.453 276 129.44 1.446 203 127.31 1.422 219 125.75 1.405 176 125.38 1.400 176 123.69 1.382 70 122.06 1.363 154 118.69 1.326 163 116.94 1.306 60 116.81 1.305 60 115.81 1.294 84 112.63 1.258 106 112.50 1.257 106 111.00 1.240 53 106.75 1.192 45 105.81 1.182 56 90.06 1.006 420 86.75 0.969 127 83.56 0.934 1000 82.00 0.916 218 81.31 0.908 225 77.50 0.866 126 76.06 0.850 164 74.13 0.828 84
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
