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2-(3S-3-[[(1,1-DIMETHYLOXY)-CARBONYL]-AMINO]-2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)-ETHANOIC-ACID
SpectraBase Compound ID 3UpWT9IBARZ
InChI InChI=1S/C17H20N2O6/c1-17(2,3)25-16(24)18-11-8-13(20)10-6-4-5-7-12(10)19(15(11)23)9-14(21)22/h4-7,11H,8-9H2,1-3H3,(H,18,24)(H,21,22)/t11-/m1/s1
InChIKey UGKLHGPMJBFLFF-LLVKDONJSA-N
Mol Weight 348.36 g/mol
Molecular Formula C17H20N2O6
Exact Mass 348.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C57ombaN3sZ
Name 2-(3S-3-[[(1,1-DIMETHYLOXY)-CARBONYL]-AMINO]-2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)-ETHANOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20N2O6
InChI InChI=1S/C17H20N2O6/c1-17(2,3)25-16(24)18-11-8-13(20)10-6-4-5-7-12(10)19(15(11)23)9-14(21)22/h4-7,11H,8-9H2,1-3H3,(H,18,24)(H,21,22)/t11-/m1/s1
InChIKey UGKLHGPMJBFLFF-LLVKDONJSA-N
Literature Reference Author J.B.BALL,M.G.WONG,B.CAPUANO,J.M.GULBIS,M.F.MACKAY,P.F.ALEWOO D
Literature Reference Citation J.HETCYCL.CHEM.,27,279(1990)
Literature Reference DOI 10.1002/jhet.5570270231
Molecular Weight 348.356 g/mol
Solvent CDCl3
Source File Reference UWCP3211