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2-Heptyl-4-methyl-1,3-dioxane
SpectraBase Compound ID 4U0UGhiHxn3
InChI InChI=1S/C12H24O2/c1-3-4-5-6-7-8-12-13-10-9-11(2)14-12/h11-12H,3-10H2,1-2H3
InChIKey AZUIOWXOJBTWPR-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzjTtV1IbIm
Name 2-Heptyl-4-methyl-1,3-dioxane
Alternate Name(s) 1,3-Dioxane, 2-heptyl-4-methyl-
CAS Registry Number 3271-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-3-4-5-6-7-8-12-13-10-9-11(2)14-12/h11-12H,3-10H2,1-2H3
InChIKey AZUIOWXOJBTWPR-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES CC1OC(CCCCCCC)OCC1
SPLASH splash10-0pb9-9400000000-9e61ed02ba71d5d199c9
Wiley ID 1502158