5911-04-6

3-甲基壬烷(5911-04-6)红外图谱(IR1)

产品名称:3-甲基壬烷

CAS:5911-04-6

分子式:C10H22

分子量: 142.28

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

InChIKey: PLZDDPSCZHRBOY-UHFFFAOYSA-N

Smiles:CCC(C)CCCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4605          
3-methylnonane
C10H22              (Mass of molecular ion:    142)

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

      27.0       8.5
      29.0      18.6
      39.0       5.6
      41.0      27.6
      42.0       5.6
      43.0      50.2
      44.0       1.7
      53.0       1.4
      55.0       9.6
      56.0      31.7
      57.0     100.0
      58.0       4.5
      69.0       3.2
      70.0       5.4
      71.0      59.2
      72.0       3.5
      83.0       2.5
      84.0       3.8
      85.0       5.5
     112.0      12.6
     113.0      12.0
     114.0       1.1

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             1.34
      B     *1      1.32
      C             1.29
      D          1.30 to 1.22
      E     *2      1.24
      F     *1      1.12
      G     *2      1.08
      J             0.884
      K             0.855
      L             0.841
     
     THE SHIFT VALUES WERE OBTAINED AT 400MHZ. J(B,K)=J(F,K)=7.1HZ.
     J(C,J)=6.9HZ. J(A,L)=6.5HZ.

     Hz     ppm     Int.

    129.31   1.444     25
    128.94   1.440     25
    128.44   1.435     26
    112.88   1.261   1000
     99.13   1.107     78
     99.00   1.106     78
     96.06   1.073     56
     95.69   1.069     55
     95.06   1.062     54
     92.25   1.031     57
     90.44   1.010     43
     89.94   1.005     44
     82.38   0.920    276
     79.00   0.883    487
     78.13   0.873    480
     76.13   0.851    349
     75.06   0.839    299
     72.81   0.813    328
     66.75   0.746     37
     66.31   0.741     37

in CDCl3