294-93-9

12-冠醚-4(294-93-9)核磁图(¹³CNMR)

产品名称:12-冠醚-4

CAS:294-93-9

分子式:C8H16O4

分子量: 176.21

InChI:InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2

InChIKey: XQQZRZQVBFHBHL-UHFFFAOYSA-N

Smiles:O1CCOCCOCCOCC1

Mass

MS-NW-5833          
12-crown-4
C8H16O4             (Mass of molecular ion:    176)

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

      15.0       8.5
      18.0       1.3
      19.0       2.1
      26.0       1.9
      27.0       9.2
      28.0      26.0
      29.0      10.1
      30.0       2.7
      31.0      10.7
      41.0       3.1
      42.0       9.6
      43.0      38.0
      44.0      34.3
      45.0     100.0
      46.0       2.6
      56.0       1.4
      57.0       8.1
      58.0      14.9
      59.0      11.8
      60.0       1.1
      61.0       2.5
      70.0       4.8
      71.0       4.2
      72.0       8.8
      73.0      16.6
      74.0       2.5
      75.0       5.4
      86.0       3.5
      87.0      14.1
      88.0      10.3
      89.0      26.4
      90.0       1.4
     101.0       5.3
     102.0       2.4
     103.0       1.6
     104.0       1.0
     117.0       1.3
     133.0       4.2

parameter in CDCl3

¹H NMR	300 MHz
C₈ H₁₆ O₄	0.04 ml : 0.5 ml CDCl₃
12-crown-4

    Parameter     ppm  Hz

      D(A)         3.703

     Hz     ppm     Int.

   1110.90   3.703   1000

in CDCl3

liquid film

4880 A,200 M,liquid

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12-冠醚-4(294-93-9)核磁图(13CNMR)

12-冠醚-4(294-93-9)核磁图(¹³CNMR)