15869-85-9

5-甲基壬烷(15869-85-9)红外图谱(IR1)

产品名称:5-甲基壬烷

CAS:15869-85-9

分子式:C10H22

分子量: 142.28

InChI:InChI=1S/C10H22/c1-4-6-8-10(3)9-7-5-2/h10H,4-9H2,1-3H3

InChIKey: TYSIILFJZXHVPU-UHFFFAOYSA-N

Smiles:CCCCC(C)CCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4072          
5-methylnonane
C10H22              (Mass of molecular ion:    142)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       8.1
      29.0      11.4
      39.0       4.8
      41.0      18.7
      42.0       6.0
      43.0     100.0
      44.0       3.4
      53.0       1.3
      55.0       8.5
      56.0      12.9
      57.0      28.3
      58.0       1.3
      69.0       4.7
      71.0       6.7
      84.0      32.5
      85.0      54.7
      86.0       3.7
      98.0       1.3
     112.0       1.6
     113.0       1.0
     127.0       1.0
     142.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₂₂	0.04 ml : 0.5 ml CDCl₃
5-methylnonane

    Assign.     Shift(ppm)

      A             1.28
      B     *1      1.23
      C     *1      1.09
      D             0.889
      E             0.844
     
     THE SHIFT VALUES WERE OBTAINED AT 400MHZ.

     Hz     ppm     Int.

    131.38   1.467     25
    130.63   1.459     27
    128.13   1.431     48
    111.94   1.250    872
    100.69   1.125    117
    100.13   1.119    116
     99.50   1.111    116
     98.81   1.104    120
     96.38   1.077     81
     94.88   1.060     81
     93.56   1.045     73
     92.50   1.033     68
     91.94   1.027     65
     91.63   1.024     67
     90.94   1.016     69
     86.69   0.968    190
     84.81   0.947    314
     79.56   0.889   1000
     78.38   0.876    729
     72.75   0.813    509

in CDCl3