1-Propene-1,2,3-tricarboxylic acid, trimethyl ester

• Formula: C₉H₁₂O₆
• Molecular weight: 216.1880
• IUPAC Standard InChI: InChI=1S/C9H12O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h4H,5H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: DZAIBGWGBBQGPZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 20820-77-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • Trimethyl (1z)-1-propene-1,2,3-tricarboxylate
• Other names: Trimethyl aconitate; 1,2,3-Propenetricarboxylic acid, trimethyl ester; 3-Methoxycarbonyl-pent-2-enedioic acid dimethyl ester; Trimethyl 1-propene-1,2,3-tricarboxylate; Aconitic acid, trimethyl ester
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• Information on this page:
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, temperature ramp

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Pinkston, Spiteller, et al., 1981
Pinkston, D.; Spiteller, G.; von Henning, H.; Matthaei, D., High-resolution gas chromatography-mass spectrometry of the methyl esters of organic acids from uremic hemofiltrates, J. Chromatogr., 1981, 223, 1, 1-19, https://doi.org/10.1016/S0378-4347(00)80063-8 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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