2-PENTYNE(627-21-4) MS
Molecular FormulaC5H8
Molecular Weight68.12
InChIInChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3
InChIKey NKTDTMONXHODTI-UHFFFAOYSA-N
SmilesCC#CCC
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MassMS-NW-4611 2-pentyne C5H8 (Mass of molecular ion: 68)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.6 26.0 3.1 27.0 24.2 29.0 3.5 31.0 3.0 37.0 3.4 38.0 5.3 39.0 31.8 40.0 19.6 41.0 34.2 42.0 11.1 49.0 1.6 50.0 8.3 51.0 11.3 52.0 8.3 53.0 76.9 54.0 3.6 61.0 2.7 62.0 3.9 63.0 5.1 65.0 10.1 66.0 6.4 67.0 40.6 68.0 100.0 69.0 5.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H8 0.04 ml : 0.5 ml CDCl3 2-pentyne 
Assign. Shift(ppm)
A 2.126 B 1.770 C 1.111 J(A,B)=2.5HZ.
Hz ppm Int.199.06 2.223 32 198.44 2.216 33 196.31 2.192 74 195.88 2.188 64 193.63 2.163 94 191.13 2.135 75 189.50 2.116 50 188.63 2.107 108 187.00 2.088 62 186.25 2.080 100 183.94 2.054 48 183.38 2.048 37 181.81 2.031 39 181.19 2.024 31 179.44 2.004 40 178.50 1.994 33 160.94 1.798 502 158.50 1.770 1000 155.88 1.741 369 106.31 1.188 312 99.19 1.108 829 98.63 1.102 418 92.06 1.028 134 91.44 1.021 218 90.81 1.014 116
in CDCl3
liquid film
