1606-85-5

丁炔二醇乙氧基化物(1606-85-5)核磁图(¹HNMR)

产品名称:丁炔二醇乙氧基化物

CAS:1606-85-5

分子式:C8H14O4

分子量: 174.19

InChI:InChI=1S/C8H14O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,3-8H2

InChIKey: IXAWTPMDMPUGLV-UHFFFAOYSA-N

Smiles:C(OCCO)C#CCOCCO

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-1094          
1,4-bis(2-hydroxyethoxy)-2-butyne
C8H14O4             (Mass of molecular ion:    174)

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

      14.0       1.4
      15.0       7.4
      17.0       1.9
      18.0       9.1
      19.0       7.5
      26.0       4.4
      27.0      22.3
      28.0      13.8
      29.0      24.3
      30.0       2.7
      31.0      48.6
      32.0       2.6
      33.0       5.1
      37.0       1.5
      38.0       3.6
      39.0      34.2
      40.0       7.3
      41.0      85.5
      42.0       5.2
      43.0      21.9
      44.0      13.0
      45.0      91.8
      46.0       2.3
      50.0       5.5
      51.0      12.5
      52.0      83.4
      53.0      14.8
      54.0       4.4
      55.0      17.7
      56.0       7.5
      57.0       9.0
      58.0       2.4
      59.0       1.2
      61.0       3.7
      63.0       1.1
      65.0       1.3
      66.0       1.6
      67.0       1.7
      68.0      25.1
      69.0     100.0
      70.0      18.1
      71.0      25.1
      72.0       1.2
      73.0       3.7
      75.0       5.5
      81.0       3.0
      82.0       2.6
      83.0       2.8
      84.0       2.0
      85.0       1.6
      86.0       1.9
      87.0       1.6
      88.0       1.1
      89.0       2.0
      99.0       7.1
     112.0      22.7
     113.0       4.0
     114.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₄	0.04 ml : 0.5 ml CDCl₃
1,4-bis(2-hydroxyethoxy)-2-butyne

    Assign.     Shift(ppm)

      A             4.255
      B          3.90 to 3.52
      C             3.2

     Hz     ppm     Int.

    384.88   4.298     25
    383.50   4.283     65
    381.06   4.255   1000
    343.25   3.833     35
    341.00   3.808     53
    339.94   3.796     63
    339.00   3.786     46
    336.88   3.762    102
    336.13   3.754    111
    333.50   3.724    253
    331.06   3.697    274
    329.25   3.677    239
    326.88   3.650    150
    326.13   3.642    102
    325.06   3.630    101
    323.00   3.607     54
    321.88   3.595     52
    319.94   3.573     31
    287.81   3.214     48

in CDCl3