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2-Phenyl-3,5-dioxane-5-carboxylic acid

View entire compound with spectra: 1 MS (GC)

2-Phenyl-3,5-dioxane-5-carboxylic acid
SpectraBase Compound ID AB8xuwa7CbM
InChI InChI=1S/C11H12O4/c12-10(13)11-14-6-9(7-15-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChIKey KTOHRWQKXVDJII-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67y5nqysCMq
Name 2-Phenyl-3,5-dioxane-5-carboxylic acid
Alternate Name(s) 5-Phenyl-1,3-dioxane-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4
InChI InChI=1S/C11H12O4/c12-10(13)11-14-6-9(7-15-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChIKey KTOHRWQKXVDJII-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES OC(C1OCC(CO1)c1ccccc1)=O
SPLASH splash10-0a6r-6920000000-3535a3877e434580b130
Source of Spectrum D8-326-480-16
Wiley ID 1514857