553-90-2

Dimethyl oxalate(553-90-2) IR2

Product NameDimethyl oxalate

CAS 553-90-2

Molecular FormulaC4H6O4

Molecular Weight118.09

InChIInChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3

InChIKey LOMVENUNSWAXEN-UHFFFAOYSA-N

SmilesC(OC)(=O)C(OC)=O

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Dimethyl oxalate(553-90-2) IR2
Mass

MS-NW-5045          
methyl oxalate
C4H6O4              (Mass of molecular ion:    118)

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

      14.0       1.7
      15.0      74.6
      16.0       1.3
      28.0      10.6
      29.0      19.3
      30.0       6.4
      31.0       6.4
      33.0       1.1
      43.0       4.1
      44.0       8.9
      45.0      32.9
      46.0       1.0
      59.0     100.0
      60.0       3.8
     118.0       2.5

parameter in CDCl3

Dimethyl oxalate(553-90-2) IR2

¹H NMR	300 MHz
C₄ H₆ O₄	0.040 g : 0.5 ml CDCl₃
methyl oxalate

    Parameter     ppm  Hz

      D(A)         3.915

     Hz     ppm     Int.

   1174.50   3.915   1000

in CDCl3

CCl4 solution

KBr disc

nujol mull

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