Butanoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester

• Formula: C₁₃H₃₂O₄Si₃
• Molecular weight: 336.6473
• IUPAC Standard InChI: InChI=1S/C13H32O4Si3/c1-18(2,3)15-11-12(16-19(4,5)6)10-13(14)17-20(7,8)9/h12H,10-11H2,1-9H3 Copy

  
• IUPAC Standard InChIKey: OQDJJXAACZVZRO-UHFFFAOYSA-N Copy
• CAS Registry Number: 55191-53-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 2-Deoxytetronic acid, tris-TMS; 2-Deoxytetronic acid, tri-TMS; 3,4-Dihydroxybutanoic acid, 3O-TMS
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Mass spectrum (electron ionization)

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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

Spectrum

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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

Kovats' RI, non-polar column, isothermal

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Van Den Dool and Kratz 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.

Petersson, 1977
Petersson, G., Retention Data in GLC Analysis; Carbohydrate-Related Hydroxy Carboxylic and Dicarboxylic Acids as Trimethylsilyl Derivatives, J. Chromatogr. Sci., 1977, 15, 7, 245-255, https://doi.org/10.1093/chromsci/15.7.245 . [all data]

Kimura, Yamamoto, et al., 1999
Kimura, M.; Yamamoto, T.; Yamaguchi, S., Automated metabolic profiling and interpretation of GC/MS data for organic acidemia screening: a personal computer-based system, Tohoku J. Exp. Med., 1999, 188, 4, 317-334, https://doi.org/10.1620/tjem.188.317 . [all data]

Lefevere, Verhaeghe, et al., 1989
Lefevere, M.F.; Verhaeghe, B.J.; Declerck, D.H.; Van Bocxlaer, J.F.; De Leenheer, A.P.; De Sagher, R.M., Metabolic Profiling of Urinary Organic Acids by Single and Multicolumn Capillary Gas Chromatography, J. Chromatogr. Sci., 1989, 27, 1, 23-29, https://doi.org/10.1093/chromsci/27.1.23 . [all data]

Tuchman, Bowers, et al., 1984
Tuchman, M.; Bowers, L.D.; Fregien, K.D.; Crippin, P.J.; Krivit, W., Capillary Gas Chromatographic Separation of Urinary Organic Acids. Retention Indices of 101 Urinary Acids on a 5% Phenylmethyl Silicone Capillary Column, J. Chromatogr. Sci., 1984, 22, 5, 198-202, https://doi.org/10.1093/chromsci/22.5.198 . [all data]

Notes

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