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{[(2-pyridyl)amino]methylene}malonic acid, cyclic isopropylidene ester
SpectraBase Compound ID HTBmJ3AV8dB
InChI InChI=1S/C12H12N2O4/c1-12(2)17-10(15)8(11(16)18-12)7-14-9-5-3-4-6-13-9/h3-7H,1-2H3,(H,13,14)
InChIKey JKJIEDAXDKMETP-UHFFFAOYSA-N
Mol Weight 248.24 g/mol
Molecular Formula C12H12N2O4
Exact Mass 248.079707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRb2272seoi
Name {[(2-PYRIDYL)AMINO]METHYLENE}MALONIC ACID, CYCLIC ISOPROPYLIDENEESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O4
InChI InChI=1S/C12H12N2O4/c1-12(2)17-10(15)8(11(16)18-12)7-14-9-5-3-4-6-13-9/h3-7H,1-2H3,(H,13,14)
InChIKey JKJIEDAXDKMETP-UHFFFAOYSA-N
Melting Point 171-174C
Molecular Weight 248.24
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms MALONIC ACID, {[(2-PYRIDYL)AMINO]METHYLENE}-, CYCLIC ISOPROPYLIDENE ESTER m-DIOXANE-4,6-DIONE, 2,2-DIMETHYL-5-{[(2-PYRIDYL)AMINO]METHYLENE}-,