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5-Allyl-5-benzyl-2,2-dimethyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID KCLJDpm5jKo
InChI InChI=1S/C16H18O4/c1-4-10-16(11-12-8-6-5-7-9-12)13(17)19-15(2,3)20-14(16)18/h4-9H,1,10-11H2,2-3H3
InChIKey QSJLUKZFXIJDCF-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vX4nCAZwAW
Name 5-Allyl-5-benzyl-2,2-dimethyl-1,3-dioxane-4,6-dione
Alternate Name(s) 2,2-Dimethyl-5-(phenylmethyl)-5-prop-2-enyl-1,3-dioxane-4,6-dione 5-Allyl-5-benzyl-2,2-dimethyl-1,3-dioxane-4,6-quinone 5-Benzyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane-4,6-dione
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Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-4-10-16(11-12-8-6-5-7-9-12)13(17)19-15(2,3)20-14(16)18/h4-9H,1,10-11H2,2-3H3
InChIKey QSJLUKZFXIJDCF-UHFFFAOYSA-N
Molecular Weight 274.316 g/mol
SMILES C1(OC(C(C(O1)=O)(Cc1ccccc1)CC=C)=O)(C)C
SPLASH splash10-00kf-6900000000-9cee5e0fa418793e6afb
Source of Spectrum O1-65-1921-3
Wiley ID 1593242