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2-(4-Methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
SpectraBase Compound ID 7muzKvRNqH8
InChI InChI=1S/C13H16O5/c1-13(12(14)15)7-17-11(18-8-13)9-3-5-10(16-2)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,14,15)
InChIKey KGWLYWQUODVETH-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1afpe3Da67
Name 2-(4-Methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
Alternate Name(s) 1,3-Dioxane-5-carboxylic acid, 2-(4-methoxyphenyl)-5-methyl-
CAS Registry Number 219529-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-13(12(14)15)7-17-11(18-8-13)9-3-5-10(16-2)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,14,15)
InChIKey KGWLYWQUODVETH-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES OC(C1(COC(OC1)c1ccc(cc1)OC)C)=O
SPLASH splash10-000i-3910000000-50b52c7a665f2f73d942
Wiley ID 1456188