o-Coumaric acid, 2TMS derivative

• Formula: C₁₅H₂₄O₃Si₂
• Molecular weight: 308.5203
• IUPAC Standard InChI: InChI=1S/C15H24O3Si2/c1-19(2,3)17-14-10-8-7-9-13(14)11-12-15(16)18-20(4,5)6/h7-12H,1-6H3/b12-11+ Copy

  
• IUPAC Standard InChIKey: BTQKAITUJUXGFH-VAWYXSNFSA-N Copy
• CAS Registry Number: 32426-62-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Cinnamic acid, o-(trimethylsiloxy)-, trimethylsilyl ester; 2-Propenoic acid, 3-(2-trimethylsiloxyphenyl)-, trimethylsilyl ester; Trimethylsilyl 3-(2-[(trimethylsilyl)oxy]phenyl)-2-propenoate; Cinnamic acid, 2-hydroxy, TMS; o-Coumaric acid, (2TMS)-; o-Coumaric acid, bis-TMS; o-Coumaric acid, TMS; (E)-o-Coumaric acid, TMS; (Z)-o-Coumaric acid, TMS; trans-2-Hydroxycinnamic acid, trimethylsilyl ether, trimethylsilyl ester; 2-Hydroxycinnamic acid, bis-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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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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.

Jaroszynska and Ligor, 2005
Jaroszynska, J.; Ligor, T., The identification of phenolic compounds by a gas chromatographic method on three capillary columns with the same non-polar stationary phase, Anal. Chim. Acta., 2005, 539, 1-2, 11-15, https://doi.org/10.1016/j.aca.2005.03.024 . [all data]

Jaroszynska, 2003
Jaroszynska, J., Isolation of free phenolic compounds from arboreal leaves by use of the Florisil/C18 system, Anal. Bioanal. Chem., 2003, 377, 4, 702-708, https://doi.org/10.1007/s00216-003-2155-z . [all data]

Wagner, Sefkow, et al., 2003
Wagner, C.; Sefkow, M.; Kopka, J., Construction and application of a mass spectral and retention time index database generated from plant GC/EI-TOF-MS metabolite profiles, Phytochemistry, 2003, 62, 6, 887-900, https://doi.org/10.1016/S0031-9422(02)00703-3 . [all data]

Butts, 1972
Butts, W.C., Two-Column Gas Chromatography of Trimethylsilyl Derivatives of Biochemically Significant Compounds, Anal. Biochemistry, 1972, 46, 1, 187-199, https://doi.org/10.1016/0003-2697(72)90411-3 . [all data]

Tret'yakov, 2008
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Isidorov, Kotowska, et al., 2005
Isidorov, V.A.; Kotowska, U.; Vinogorova, V.T., GC Identification of organic compounds based on partition coefficients of their TMS derivatives in a hexane-acetonitrile system and retention indices, Anal. Sci., 2005, 21, 12, 1483-1489, https://doi.org/10.2116/analsci.21.1483 . [all data]

Notes

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