Pentane(109-66-0) IR1

Product NamePentane

CAS 109-66-0

Molecular FormulaC5H12

Molecular Weight72.15

InChIInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

InChIKey OFBQJSOFQDEBGM-UHFFFAOYSA-N

SmilesCCCCC

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-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

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