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(E)-1-(2,2-dimethyl-1,3-dioxan-4-yl)-5-hepten-2-one
SpectraBase Compound ID BB2cuBzgWyz
InChI InChI=1S/C13H22O3/c1-4-5-6-7-11(14)10-12-8-9-15-13(2,3)16-12/h4-5,12H,6-10H2,1-3H3/b5-4+
InChIKey GKRJPSUZBYEUMK-SNAWJCMRSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E07m2OjlS8e
Name (E)-1-(2,2-dimethyl-1,3-dioxan-4-yl)-5-hepten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-4-5-6-7-11(14)10-12-8-9-15-13(2,3)16-12/h4-5,12H,6-10H2,1-3H3/b5-4+
InChIKey GKRJPSUZBYEUMK-SNAWJCMRSA-N
Molecular Weight 226.316 g/mol
SMILES C1(OC(CC(=O)CC\C=C\C)CCO1)(C)C
SPLASH splash10-014j-9110000000-ca71aa7caf2c55a5c1e3
Source of Spectrum U-1996-2138-8
Synonyms (E)-1-(2,2-dimethyl-1,3-dioxan-4-yl)hept-5-en-2-one
Wiley ID 769228