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1-(2,2-dimethyl-1,3-dioxan-4-yl)-3-heptyn-2-one
SpectraBase Compound ID 226w7uolsBp
InChI InChI=1S/C13H20O3/c1-4-5-6-7-11(14)10-12-8-9-15-13(2,3)16-12/h12H,4-5,8-10H2,1-3H3
InChIKey VHSJKDNHSMFBGS-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OAPBqISwuQ
Name 1-(2,2-dimethyl-1,3-dioxan-4-yl)-3-heptyn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-4-5-6-7-11(14)10-12-8-9-15-13(2,3)16-12/h12H,4-5,8-10H2,1-3H3
InChIKey VHSJKDNHSMFBGS-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(OC(CC(C#CCCC)=O)CCO1)(C)C
SPLASH splash10-0002-9020000000-3190e5ff6ae224bbd3cb
Source of Spectrum U-1996-2139-12
Synonyms 1-(2,2-dimethyl-1,3-dioxan-4-yl)hept-3-yn-2-one
Wiley ID 769225