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5-(4-Chlorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID 53ZUg1OKfq1
InChI InChI=1S/C13H13ClO4/c1-13(2)17-11(15)10(12(16)18-13)7-8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey DBPJFECUSKQONM-UHFFFAOYSA-N
Mol Weight 268.7 g/mol
Molecular Formula C13H13ClO4
Exact Mass 268.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73syTr0aGSM
Name 5-(4-Chlorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
Alternate Name(s) 5-(4-Chlorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-quinone 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
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Formula C13H13ClO4
InChI InChI=1S/C13H13ClO4/c1-13(2)17-11(15)10(12(16)18-13)7-8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey DBPJFECUSKQONM-UHFFFAOYSA-N
Molecular Weight 268.696 g/mol
SMILES C1(OC(C(C(O1)=O)Cc1ccc(cc1)Cl)=O)(C)C
SPLASH splash10-001i-0900000000-258128ff301e0788b58f
Source of Spectrum SK-34-29-5
Wiley ID 1582045