1,3-Dioxane, 2-propyl-4-(2-pentenyl), 2S,4R

• Formula: C₁₂H₂₂O₂
• Molecular weight: 198.3019
• IUPAC Standard InChI: InChI=1S/C12H22O2/c1-3-5-6-8-11-9-10-13-12(14-11)7-4-2/h5-6,11-12H,3-4,7-10H2,1-2H3/b6-5+/t11-,12+/m0/s1 Copy

  
• IUPAC Standard InChIKey: HUMNXQDSONGUJF-CYLBZQBVSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 1,3-Dioxane, 2-propyl-4-(2-pentenyl), 2R,4R
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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

Normal alkane RI, 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.

Kavvadias, Beuerle, et al., 1999
Kavvadias, D.; Beuerle, T.; Wein, M.; Boss, B.; König, T.; Schwab, W., Novel 1,3-dioxanes from apple juice and cider, J. Agric. Food Chem., 1999, 47, 12, 5178-5183, https://doi.org/10.1021/jf990714x . [all data]

Notes

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