4-Oxo-β-ionol, Gly, TFA

• Formula: C₂₇H₂₆F₁₂O₁₁
• Molecular weight: 754.4696
• IUPAC Standard InChI: InChI=1S/C27H26F12O11/c1-10-7-12(40)8-23(3,4)13(10)6-5-11(2)46-18-17(50-22(44)27(37,38)39)16(49-21(43)26(34,35)36)15(48-20(42)25(31,32)33)14(47-18)9-45-19(41)24(28,29)30/h5-6,11,14-18H,7-9H2,1-4H3/b6-5+/t11?,14-,15-,16+,17-,18-/m1/s1 Copy

  
• IUPAC Standard InChIKey: AMGTVCUHNCZYHT-KUPPMWNHSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
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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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