2-乙基4-甲基1-戊醇(106-67-2)Raman光譜

產(chǎn)品名稱(chēng):2-乙基4-甲基1-戊醇

CAS:106-67-2

分子式:C8H18O

分子量: 130.23

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

InChIKey: QCHSJPKDWOFACC-UHFFFAOYSA-N

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

Mass

MS-NW-4284          
2-ethyl-4-methyl-1-pentanol
C8H18O              (Mass of molecular ion:    130)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       8.0
      28.0       4.2
      29.0      12.5
      31.0       5.8
      32.0       1.0
      39.0       5.4
      41.0      26.4
      42.0       5.1
      43.0      37.0
      44.0       1.2
      45.0       1.8
      53.0       1.5
      55.0      22.4
      56.0      30.2
      57.0     100.0
      58.0       4.6
      59.0       1.5
      68.0       1.2
      69.0      12.1
      70.0      11.8
      71.0       2.5
      82.0       1.0
      83.0      14.8
      84.0       5.7
      97.0       3.2
      98.0       4.1
      99.0       2.2
     112.0       2.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ O	0.04 ml : 0.5 ml CDCl₃
2-ethyl-4-methyl-1-pentanol

    Assign.     Shift(ppm)

      A             3.531
      B             1.68
      C          1.85 to 1.03
      D             0.90
      E             0.89

     Hz     ppm     Int.

    318.50   3.557    360
    316.00   3.529    141
    313.50   3.501    327
    150.38   1.680    831
    148.63   1.660     86
    135.13   1.509     89
    134.50   1.502     81
    134.13   1.498     86
    133.75   1.494     82
    133.13   1.487     79
    130.75   1.460     81
    130.13   1.453     85
    128.50   1.435    146
    127.25   1.421    174
    125.88   1.406    131
    125.56   1.402    120
    125.13   1.398    118
    124.69   1.393    118
    123.50   1.379    128
    122.94   1.373    124
    120.75   1.349    254
    119.56   1.335    211
    115.94   1.295    333
    114.44   1.278    359
    110.88   1.239     79
    107.88   1.205    273
    101.50   1.134    157
    100.38   1.121    153
     95.56   1.067     95
     86.56   0.967    318
     82.38   0.920   1000
     80.25   0.897    714
     78.44   0.876    205
     76.44   0.854    757
     73.81   0.825    170
     72.56   0.811    124

in CDCl3