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5-(3-Butenyl)-2-tert-butyl-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID BhSHW74hQ2r
InChI InChI=1S/C13H22O3/c1-6-7-8-10-9(2)15-12(13(3,4)5)16-11(10)14/h6,9-10,12H,1,7-8H2,2-5H3
InChIKey DCWHOPSPRXYZLG-UHFFFAOYSA-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 2gIr0UqxMiH
Name 5-(3-Butenyl)-2-tert-butyl-6-methyl-1,3-dioxan-4-one
CAS Registry Number 129287-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-6-7-8-10-9(2)15-12(13(3,4)5)16-11(10)14/h6,9-10,12H,1,7-8H2,2-5H3
InChIKey DCWHOPSPRXYZLG-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES CC(C1OC(C(C(O1)=O)CCC=C)C)(C)C
SPLASH splash10-0adi-9100000000-8694e525fe89821ca5e1
Synonyms 5-But-3-enyl-2-t-butyl-6-methyl[1,3]dioxan-4-one 5-But-3-enyl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
Wiley ID 1483173