1506-55-4

3-Oxopentane-1,5-dicarboxylic acid monoethyl ester(1506-55-4) IR2

Product Name3-Oxopentane-1,5-dicarboxylic acid monoethyl ester

CAS 1506-55-4

Molecular FormulaC9H14O5

Molecular Weight202.2

InChIInChI=1S/C9H14O5/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h2-6H2,1H3,(H,11,12)

InChIKey JYEYJELELKLPLO-UHFFFAOYSA-N

SmilesC(OCC)(=O)CCC(=O)CCC(O)=O

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IR1

IR2

3-Oxopentane-1,5-dicarboxylic acid monoethyl ester(1506-55-4) IR2
Mass

MS-IW-0611          
ethyl hydrogen 4-oxoheptanedioate
C9H14O5             (Mass of molecular ion:    202)

   Source Temperature: 130 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      17.0       1.1
      18.0       6.3
      27.0       4.7
      28.0       5.1
      29.0      11.5
      31.0       1.0
      42.0       1.6
      43.0       2.7
      45.0       9.2
      55.0      16.0
      56.0       7.6
      57.0       5.1
      70.0       1.0
      73.0      21.4
      74.0      18.7
      75.0       5.3
      83.0       3.6
      84.0       1.7
     101.0     100.0
     102.0      34.8
     103.0       2.4
     110.0       1.2
     111.0      25.6
     112.0       4.2
     128.0       1.2
     129.0      76.1
     130.0       5.4
     138.0       1.1
     139.0       3.4
     156.0       1.2
     157.0      22.4
     158.0       1.9
     185.0       1.7

KBr disc