2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester

• Formula: C₁₃H₁₆O₅
• Molecular weight: 252.2631
• IUPAC Standard InChI: InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+ Copy

  
• IUPAC Standard InChIKey: KLXHCGFNNUQTEY-AATRIKPKSA-N Copy
• CAS Registry Number: 7560-49-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • 2-Propenoic, 3-(3, 4, 5 trimethoxy phenyl) methylester
• Stereoisomers:
  • 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, cis
• Other names: Cinnamic acid, 3,4,5-trimethoxy-, methyl ester; Methyl 3,4,5-trimethoxycinnamate; Methyl ester of 3,4,5-Trimethoxycinnamic acid; Sinapic acid, O,O'-dimethyl-; Methyl (2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoate; 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, trans
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
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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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Normal alkane RI, non-polar column, custom temperature program

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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.

Todua, 2011
Todua, N.G., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]

Marlatt, Ho, et al., 1992
Marlatt, C.; Ho, C.-T.; Chien, M., Studies of aroma constituents bound as glycosides in tomato, J. Agric. Food Chem., 1992, 40, 2, 249-252, https://doi.org/10.1021/jf00014a016 . [all data]

Notes

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