2-METHYL-3-BUTEN-1-OL(4516-90-9)IR
Product Name2-METHYL-3-BUTEN-1-OL
CAS4516-90-9
Molecular FormulaC5H10O
Molecular Weight86.13
InChIInChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3
InChIKey NVGOATMUHKIQQG-UHFFFAOYSA-N
SmilesC(O)C(C)C=C
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MassMS-IW-6158 2-methyl-3-buten-1-ol C5H10O (Mass of molecular ion: 86)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.0 18.0 2.1 26.0 2.3 27.0 22.4 28.0 9.8 29.0 39.5 30.0 2.2 31.0 30.1 38.0 2.0 39.0 26.4 40.0 5.8 41.0 53.1 42.0 4.1 43.0 9.1 44.0 4.7 45.0 2.6 50.0 2.7 51.0 3.6 52.0 1.4 53.0 16.9 54.0 9.9 55.0 84.2 56.0 100.0 57.0 15.7 58.0 22.1 67.0 9.7 68.0 13.4 69.0 2.8 71.0 6.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H10 O 0.01 ml : 0.5 ml CDCl3 2-methyl-3-buten-1-ol 
Assign. Shift(ppm)
A 5.713 B 5.13 C 5.11 D *1 3.513 E *1 3.440 F 2.372 G 1.7 F 1.021
Hz ppm Int.2301.76 5.760 70 2294.31 5.741 73 2291.50 5.734 77 2284.42 5.717 107 2276.98 5.698 87 2274.17 5.691 89 2266.60 5.672 89 2059.33 5.153 109 2058.11 5.150 134 2057.62 5.149 148 2056.40 5.146 131 2047.12 5.123 143 2046.26 5.121 147 2045.41 5.119 112 2044.43 5.116 99 2042.11 5.110 89 2040.28 5.106 144 2039.06 5.103 134 2036.87 5.097 141 2035.89 5.095 144 2035.03 5.093 95 2034.06 5.090 80 1413.70 3.538 95 1408.08 3.524 102 1403.20 3.512 185 1397.58 3.498 184 1382.20 3.459 202 1374.76 3.440 208 1371.70 3.433 108 1364.14 3.414 111 956.18 2.393 39 955.44 2.391 53 954.59 2.389 50 948.73 2.374 69 947.75 2.372 66 942.99 2.360 34 942.02 2.358 53 941.16 2.355 51 940.31 2.353 35 695.31 1.740 32 411.38 1.030 1000 408.94 1.024 42 404.54 1.013 981 402.22 1.007 38
in CDCl3
