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phenylmalonic acid, cyclic isopropylidene ester
SpectraBase Compound ID L5jwZIREMBo
InChI InChI=1S/C12H12O4/c1-12(2)15-10(13)9(11(14)16-12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey NTUAHNQWHPQAMB-UHFFFAOYSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID SWaKOsfzcO
Name PHENYLMALONIC ACID, CYCLIC ISOPROPYLIDENE ESTER
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 15231-78-4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-12(2)15-10(13)9(11(14)16-12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey NTUAHNQWHPQAMB-UHFFFAOYSA-N
Molecular Weight 220.23
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms MALONIC ACID, PHENYL-, CYCLIC ISOPROPYLIDENE ESTER M-DIOXANE-4,6-DIONE, 2,2-DIMETHYL- 5-PHENYL-,