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{[(hexahydro-2-oxo-1H-azepin-3-yl)amino]methylene}malonic acid, diethyl ester
SpectraBase Compound ID IUTMbnaPyWh
InChI InChI=1S/C14H22N2O5/c1-3-20-13(18)10(14(19)21-4-2)9-16-11-7-5-6-8-15-12(11)17/h9,11,16H,3-8H2,1-2H3,(H,15,17)
InChIKey LDJNYHBJXIGZFT-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C14H22N2O5
Exact Mass 298.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4zNMeQymHw
Name {[(HEXAHYDRO-2-OXO-1H-AZEPIN-3-YL)AMINO]METHYLENE}MALONIC ACID,DIETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22N2O5
InChI InChI=1S/C14H22N2O5/c1-3-20-13(18)10(14(19)21-4-2)9-16-11-7-5-6-8-15-12(11)17/h9,11,16H,3-8H2,1-2H3,(H,15,17)
InChIKey LDJNYHBJXIGZFT-UHFFFAOYSA-N
Melting Point 148-150C
Molecular Weight 298.34
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms MALONIC ACID, {[(HEXAHYDRO-2-OXO-1H-AZEPIN-3-YL)AMINO]METHYLENE}-, DIETHYL ESTER