正丁醇(71-36-3)紅外圖譜(IR2)

產(chǎn)品名稱:正丁醇

CAS:71-36-3

分子式:C4H10O

分子量: 74.12

InChI:InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

InChIKey: LRHPLDYGYMQRHN-UHFFFAOYSA-N

Smiles:C(O)CCC

Mass

MS-NW-5499          
1-butanol
C4H10O              (Mass of molecular ion:     74)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.8
      19.0       2.8
      26.0       3.2
      27.0      32.7
      28.0      12.1
      29.0      16.1
      31.0      83.4
      32.0       1.4
      33.0       7.9
      38.0       1.7
      39.0      11.2
      40.0       3.6
      41.0      65.6
      42.0      31.6
      43.0      59.3
      44.0       3.0
      45.0       6.6
      55.0      14.1
      56.0     100.0
      57.0       5.9
      73.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
1-butanol

    Assign.     Shift(ppm)

      A             3.626
      B             2.24
      C             1.53
      D             1.39
      E             0.94

     Hz     ppm     Int.

    331.50   3.702    237
    325.13   3.631    671
    318.81   3.560    323
    200.31   2.237    562
    152.25   1.700     36
    150.06   1.676     30
    148.63   1.660     43
    145.88   1.629     95
    143.94   1.608     85
    139.06   1.553    194
    137.13   1.532    270
    133.81   1.495    330
    132.13   1.476    285
    130.06   1.453    276
    129.44   1.446    203
    127.31   1.422    219
    125.75   1.405    176
    125.38   1.400    176
    123.69   1.382     70
    122.06   1.363    154
    118.69   1.326    163
    116.94   1.306     60
    116.81   1.305     60
    115.81   1.294     84
    112.63   1.258    106
    112.50   1.257    106
    111.00   1.240     53
    106.75   1.192     45
    105.81   1.182     56
     90.06   1.006    420
     86.75   0.969    127
     83.56   0.934   1000
     82.00   0.916    218
     81.31   0.908    225
     77.50   0.866    126
     76.06   0.850    164
     74.13   0.828     84

in CDCl3