597-05-7

3-乙基-2-甲基-3-戊醇(597-05-7)核磁图(¹HNMR)

产品名称:3-乙基-2-甲基-3-戊醇

CAS:597-05-7

分子式:C8H18O

分子量: 130.23

InChI:InChI=1S/C8H18O/c1-5-8(9,6-2)7(3)4/h7,9H,5-6H2,1-4H3

InChIKey: DMHIJUVUPKCGLJ-UHFFFAOYSA-N

Smiles:CC(C)C(CC)(O)CC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9213          
3-ethyl-2-methyl-3-pentanol
C8H18O              (Mass of molecular ion:    130)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       1.0
      18.0       5.6
      27.0      11.3
      28.0       2.2
      29.0      15.4
      31.0       4.7
      39.0       8.8
      40.0       1.4
      41.0      30.3
      42.0       3.2
      43.0      21.7
      45.0     100.0
      46.0       2.3
      51.0       1.0
      53.0       3.9
      55.0      55.8
      56.0       5.1
      57.0      24.5
      58.0       1.6
      59.0      20.2
      67.0       3.3
      68.0       1.0
      69.0      20.2
      70.0       5.2
      71.0       4.1
      73.0       1.2
      81.0       1.1
      83.0      22.5
      84.0       4.2
      85.0       1.4
      86.0       1.5
      87.0      58.9
      88.0       3.4
      97.0       6.2
     101.0      49.7
     102.0       3.4
     112.0       9.0
     113.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
3-ethyl-2-methyl-3-pentanol

    Assign.     Shift(ppm)

      A             1.779
      B     *1      1.525
      C     *1      1.457
      D             1.18
      E             0.890
      F             0.858

     Hz     ppm     Int.

    718.26   1.798     73
    711.30   1.780    100
    704.47   1.763     79
    697.51   1.746     34
    622.92   1.559     73
    616.33   1.543     77
    615.36   1.540     88
    608.76   1.524    178
    601.20   1.505    183
    598.02   1.497     63
    593.63   1.486     73
    590.45   1.478    176
    583.01   1.459    190
    576.05   1.442     99
    568.85   1.424     77
    561.40   1.405     30
    471.56   1.180     81
    359.38   0.900    931
    352.54   0.883    925
    350.59   0.878    636
    343.02   0.859   1000
    335.57   0.840    534

in CDCl3