142-30-3

2,5-二甲基-3-己炔-2,5-二醇(142-30-3)红外图谱(IR2)

产品名称:2,5-二甲基-3-己炔-2,5-二醇

CAS:142-30-3

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3

InChIKey: IHJUECRFYCQBMW-UHFFFAOYSA-N

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

Mass

MS-NW-2272          
2,5-dimethyl-3-hexyne-2,5-diol
C8H14O2             (Mass of molecular ion:    142)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.4
      15.0      11.5
      17.0       1.4
      18.0       6.8
      25.0       1.6
      26.0       8.0
      27.0       6.1
      28.0       1.3
      29.0       2.4
      31.0       2.3
      37.0       1.5
      38.0       2.5
      39.0      13.7
      40.0       5.0
      41.0      11.5
      42.0       3.1
      43.0     100.0
      44.0       2.6
      45.0       1.0
      50.0       2.7
      51.0       5.5
      52.0       1.3
      53.0       5.3
      55.0       3.9
      56.0       1.5
      57.0       1.0
      58.0      13.6
      59.0       6.4
      62.0       1.3
      63.0       2.5
      65.0       8.0
      66.0       8.8
      67.0       5.3
      69.0      21.6
      70.0       1.2
      77.0       2.1
      78.0       1.5
      79.0       4.9
      81.0      28.3
      82.0       2.3
      83.0       3.6
      91.0       4.8
     105.0       1.3
     106.0       4.0
     107.0       1.0
     109.0      60.0
     110.0       5.3
     123.0       1.1
     124.0       1.1
     127.0      10.5

parameter in CDCl3

¹H NMR	300 MHz
C₈ H₁₄ O₂	0.045 g : 0.5 ml CDCl₃
2,5-dimethyl-3-hexyne-2,5-diol

    Parameter     ppm  Hz

      D(A)         3.16
     
      D(B)         1.505

     Hz     ppm     Int.

    947.09   3.157    167
    451.50   1.505   1000

in CDCl3

KBr disc

nujol mull

4880 A,150M,powder

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