Methyl salicylate, Gly, TFA

• Formula: C₂₂H₁₄F₁₂O₁₂
• Molecular weight: 698.3202
• IUPAC Standard InChI: InChI=1S/C22H14F12O12/c1-40-13(35)7-4-2-3-5-8(7)42-14-12(46-18(39)22(32,33)34)11(45-17(38)21(29,30)31)10(44-16(37)20(26,27)28)9(43-14)6-41-15(36)19(23,24)25/h2-5,9-12,14H,6H2,1H3/t9-,10-,11+,12-,14-/m0/s1 Copy

  
• IUPAC Standard InChIKey: NWJNOOFMDOXMLR-HNRZYHPDSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • Pentosyl β-D-glucopyranoside of methyl salicylate, isomer # 1, TFA
  • Pentosyl β-D-glucopyranoside of methyl salicylate, isomer # 2, TFA
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• 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, 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.

Chassagne, Crouzet, et al., 1998
Chassagne, D.; Crouzet, J.; Bayonove, C.L.; Baumes, R.L., Identification of passion fruit glycosides by gas chromatography/mass spectrometry, J. Agric. Food Chem., 1998, 46, 10, 4352-4357, https://doi.org/10.1021/jf980416k . [all data]

Notes

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