929-77-1

山嵛酸甲酯(929-77-1)红外图谱(IR1)

产品名称:山嵛酸甲酯

CAS:929-77-1

分子式:C23H46O2

分子量: 354.61

InChI:InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3

InChIKey: QSQLTHHMFHEFIY-UHFFFAOYSA-N

Smiles:C(OC)(=O)CCCCCCCCCCCCCCCCCCCCC

Mass

MS-NW-7430          
methyl docosanoate
C23H46O2            (Mass of molecular ion:    354)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       2.6
      17.0       4.0
      18.0      18.1
      27.0       3.7
      28.0       1.4
      29.0      14.0
      39.0       2.3
      41.0      26.3
      42.0       5.4
      43.0      47.2
      44.0       1.7
      45.0       1.1
      53.0       1.2
      54.0       2.3
      55.0      28.3
      56.0       6.7
      57.0      29.3
      58.0       1.6
      59.0       4.5
      67.0       3.9
      68.0       2.0
      69.0      17.6
      70.0       3.6
      71.0      10.7
      73.0       1.7
      74.0     100.0
      75.0      32.4
      76.0       1.8
      81.0       3.6
      82.0       1.8
      83.0      11.2
      84.0       3.4
      85.0       5.4
      87.0      62.7
      88.0       5.6
      95.0       2.8
      96.0       1.3
      97.0       7.9
      98.0       3.5
      99.0       1.4
     101.0       5.9
     109.0       1.6
     111.0       3.3
     112.0       1.0
     115.0       2.1
     116.0       1.2
     125.0       2.0
     129.0       6.4
     130.0       2.7
     139.0       1.0
     143.0      18.2
     144.0       2.1
     157.0       1.7
     171.0       1.1
     185.0       2.5
     199.0       4.8
     213.0       1.2
     241.0       1.0
     255.0       3.2
     269.0       1.5
     297.0       1.0
     311.0       6.0
     312.0       1.5
     323.0       2.7
     325.0       1.2
     354.0      22.0
     355.0       5.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₃ H₄₆ O₂	0.041 g : 0.5 ml CDCl₃
methyl docosanoate

    Assign.     Shift(ppm)

      A             3.665
      B             2.301
      C             1.62
      D             1.30
      E             1.25
      F             0.862

     Hz     ppm     Int.

   1464.72   3.666    451
    927.12   2.320     55
    919.68   2.302     89
    911.99   2.282     63
    646.61   1.618     28
    526.86   1.319     28
    512.94   1.284    114
    501.22   1.255   1000
    358.52   0.898     48
    351.81   0.881    155
    344.73   0.863     59

in CDCl3