Pentane(109-66-0) IR1
Molecular FormulaC5H12
Molecular Weight72.15
InChIInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKey OFBQJSOFQDEBGM-UHFFFAOYSA-N
SmilesCCCCC
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MassMS-IW-3004 pentane C5H12 (Mass of molecular ion: 72)
Source Temperature: 200 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 1.6 27.0 22.2 28.0 3.1 29.0 20.3 38.0 1.3 39.0 12.2 40.0 2.2 41.0 50.5 42.0 78.3 43.0 100.0 44.0 4.6 53.0 1.1 55.0 4.4 56.0 3.7 57.0 20.6 72.0 17.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H12 0.04 ml : 0.5 ml CDCl3 pentane 
Assign. Shift(ppm)
A 1.30 B 1.26 C 0.884 THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
Hz ppm Int.128.00 1.430 44 126.25 1.410 43 123.13 1.375 104 120.25 1.343 173 112.81 1.260 732 109.50 1.223 326 97.75 1.092 46 95.06 1.062 44 94.56 1.056 44 91.06 1.017 53 84.38 0.943 367 81.25 0.908 339 79.06 0.883 1000 72.81 0.813 261 71.94 0.804 243 69.19 0.773 90
in CDCl3
liquid film
