4-METHYL-1-PENTYNE(7154-75-8) IR1
Product Name4-METHYL-1-PENTYNE
CAS7154-75-8
Molecular FormulaC6H10
Molecular Weight82.14
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3
InChIKey OXRWICUICBZVAE-UHFFFAOYSA-N
SmilesC#CCC(C)C
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MassMS-NW-4924 4-methyl-1-pentyne C6H10 (Mass of molecular ion: 82)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.3 18.0 1.9 26.0 1.7 27.0 33.9 28.0 1.9 29.0 2.4 37.0 2.3 38.0 5.2 39.0 33.4 40.0 20.1 41.0 74.6 42.0 14.6 43.0 79.0 44.0 2.7 50.0 2.1 51.0 3.2 52.0 1.3 53.0 6.2 54.0 12.4 55.0 2.3 56.0 1.6 62.0 1.0 63.0 1.8 65.0 7.4 66.0 2.5 67.0 100.0 68.0 6.0 77.0 1.1 79.0 2.1 81.0 9.7 82.0 2.9
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 0.04 ml : 0.5 ml CDCl3 4-methyl-1-pentyne 
Assign. Shift(ppm)
A 2.080 B 1.959 C 1.825 D 0.990
Hz ppm Int.836.18 2.093 285 833.62 2.086 261 829.71 2.077 268 827.03 2.070 353 785.77 1.967 214 783.08 1.960 337 780.40 1.953 181 742.92 1.859 45 736.33 1.843 84 729.74 1.826 107 723.14 1.810 89 716.43 1.793 49 401.49 1.005 44 398.93 0.999 1000 396.48 0.993 45 394.90 0.989 24 392.21 0.982 980 388.06 0.971 31
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1H NMR 89.56 MHz C6 H10 0.04 ml : 0.5 ml CDCl3 4-methyl-1-pentyne Assign. Shift(ppm)
A 2.07 B 1.95 C 1.82 D 0.991 400MHZ : HSP-41-065
Hz ppm Int.190.63 2.129 113 189.00 2.111 74 187.69 2.096 143 185.25 2.069 128 184.25 2.058 144 182.19 2.035 306 179.31 2.003 34 177.00 1.977 261 174.75 1.952 242 174.13 1.945 147 171.94 1.920 122 170.31 1.902 51 169.19 1.890 49 163.81 1.830 47 162.63 1.816 52 156.94 1.753 48 94.50 1.056 64 91.63 1.024 1000 88.56 0.989 116 85.25 0.952 776
in CDCl3
liquid film
