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2-heptyl-2,5-dimethyl-1,3-dioxane
SpectraBase Compound ID DSYR8yqwteT
InChI InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(3)14-10-12(2)11-15-13/h12H,4-11H2,1-3H3
InChIKey XTDJIWTZNJBDHG-UHFFFAOYSA-N
Mol Weight 214.35 g/mol
Molecular Formula C13H26O2
Exact Mass 214.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNjQLVbt1hM
Name 2-heptyl-2,5-dimethyl-1,3-dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(3)14-10-12(2)11-15-13/h12H,4-11H2,1-3H3
InChIKey XTDJIWTZNJBDHG-UHFFFAOYSA-N
Instrument Name DSQ
Molecular Weight 214.349 g/mol
SMILES CCCCCCCC1(C)OCC(CO1)C
SPLASH splash10-014i-7900000000-b093e4a0feb2201ae6cf
Source of Spectrum Adam Howard, James Little, Mass Spec Interpretation Services, Kingsport, TN, December 2022.
Wiley ID 1890321