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hexahydro-2H-azepine-delta^2,alpha-malonic acid, cyclic isopropylidene ester
SpectraBase Compound ID GPUYAuNxS0B
InChI InChI=1S/C12H17NO4/c1-12(2)16-10(14)9(11(15)17-12)8-6-4-3-5-7-13-8/h13H,3-7H2,1-2H3
InChIKey IBOQRIWQBFOIGL-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cg7LL5HYRP7
Name HEXAHYDRO-2H-AZEPINE-delta2,alpha-MALONIC ACID, CYCLIC ISOPROPYLIDENE ESTER
Source of Sample J. P. Celerier, University of Pierre and Marie Curie, Paris, France
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-12(2)16-10(14)9(11(15)17-12)8-6-4-3-5-7-13-8/h13H,3-7H2,1-2H3
InChIKey IBOQRIWQBFOIGL-UHFFFAOYSA-N
Melting Point 147C
Molecular Weight 239.27
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20