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1-[(N-ACETYL-2-METHOXYANILINO)-METHYL]-PYROGLUTAMIC-ACID
SpectraBase Compound ID Fh8qo0o2UlU
InChI InChI=1S/2C15H18N2O5/c2*1-10(18)16(11-5-3-4-6-13(11)22-2)9-17-12(15(20)21)7-8-14(17)19/h2*3-6,12H,7-9H2,1-2H3,(H,20,21)
InChIKey CYAJJBKVGHXSOI-UHFFFAOYSA-N
Mol Weight 612.64 g/mol
Molecular Formula C30H36N4O10
Exact Mass 612.243143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXGSNBa9UhJ
Name 1-[(N-ACETYL-2-METHOXYANILINO)-METHYL]-PYROGLUTAMIC-ACID
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36N4O10
InChI InChI=1S/2C15H18N2O5/c2*1-10(18)16(11-5-3-4-6-13(11)22-2)9-17-12(15(20)21)7-8-14(17)19/h2*3-6,12H,7-9H2,1-2H3,(H,20,21)
InChIKey CYAJJBKVGHXSOI-UHFFFAOYSA-N
Literature Reference Author S.E.GHAMMARTI,B.RIGO,H.MEJDI,J.P.HENICHART,D.COUTURIER
Literature Reference Citation J.HETCYCL.CHEM.,35,555(1998)
Literature Reference DOI 10.1002/jhet.5570350311
Molecular Weight 612.637 g/mol
Solvent DMSO-D6
Source File Reference UWCS25030