Heptane(142-82-5) IR1

Product NameHeptane

CAS 142-82-5

Molecular FormulaC7H16

Molecular Weight100.2

InChIInChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

InChIKey IMNFDUFMRHMDMM-UHFFFAOYSA-N

SmilesCCCCCCC

Request For Quotation

Mass

MS2015-05274CW      
heptane
C7H16               (Mass of molecular ion:    100)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      27.0      12.0
      29.0      20.7
      39.0      10.2
      40.0       1.8
      41.0      45.2
      42.0      19.1
      43.0     100.0
      44.0       3.2
      53.0       1.8
      55.0      12.3
      56.0      32.0
      57.0      58.1
      58.0       2.5
      69.0       1.1
      70.0      29.4
      71.0      71.8
      72.0       3.9
      85.0       3.5
     100.0      24.7
     101.0       1.9

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₆	0.04 ml : 0.5 ml CDCl₃
heptane

    Assign.     Shift(ppm)

      A             1.30
      B             1.27
      C             0.88
     
     J(A,C) = 7.0 HZ.

     Hz     ppm     Int.

    126.06   1.408     51
    124.38   1.389     33
    123.00   1.374     38
    122.50   1.368     40
    113.13   1.264   1000
    103.44   1.155     30
    102.19   1.142     28
    101.81   1.137     28
    101.31   1.132     30
    100.19   1.119     37
     98.69   1.102     24
     97.75   1.092     22
     92.00   1.028     31
     90.63   1.012     22
     84.38   0.943    153
     79.13   0.884    536
     73.00   0.816    109

in CDCl3