77-93-0

Triethyl citrate(77-93-0) IR1

Product NameTriethyl citrate

CAS 77-93-0

Molecular FormulaC12H20O7

Molecular Weight276.28

InChIInChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3

InChIKey DOOTYTYQINUNNV-UHFFFAOYSA-N

SmilesC(C(OCC)=O)C(O)(C(OCC)=O)CC(OCC)=O

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Triethyl citrate(77-93-0) IR1
Mass

MS-NW-1761          
triethyl citrate
C12H20O7            (Mass of molecular ion:    276)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.9
      18.0       2.3
      19.0       1.5
      26.0       1.2
      27.0      10.8
      28.0       2.5
      29.0      45.0
      30.0       1.1
      31.0       4.4
      39.0       1.0
      41.0       1.1
      42.0       7.6
      43.0      25.4
      44.0       1.0
      45.0       3.6
      47.0       1.3
      56.0       3.4
      57.0       1.3
      60.0       4.1
      61.0       1.9
      69.0       5.0
      73.0       1.1
      84.0       3.6
      85.0       1.3
      87.0       7.1
      88.0       3.6
     102.0       1.0
     111.0       8.4
     112.0       1.2
     115.0      36.8
     116.0       2.2
     129.0       6.4
     130.0       3.6
     139.0       3.8
     143.0       1.1
     157.0     100.0
     158.0       7.9
     159.0       1.2
     167.0       1.0
     185.0       1.5
     203.0      20.3
     204.0       2.1
     213.0       1.8