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1-[(N-ACETYL-2-CHLOROANILINO)-METHYL]-PYROGLUTAMIC-ACID
SpectraBase Compound ID Goo128zLNnw
InChI InChI=1S/2C14H15ClN2O4/c2*1-9(18)16(11-5-3-2-4-10(11)15)8-17-12(14(20)21)6-7-13(17)19/h2*2-5,12H,6-8H2,1H3,(H,20,21)
InChIKey SFCVITLZLRWWQA-UHFFFAOYSA-N
Mol Weight 621.47 g/mol
Molecular Formula C28H30Cl2N4O8
Exact Mass 620.144069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4YHiLaHdm0
Name 1-[(N-ACETYL-2-CHLOROANILINO)-METHYL]-PYROGLUTAMIC-ACID
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30Cl2N4O8
InChI InChI=1S/2C14H15ClN2O4/c2*1-9(18)16(11-5-3-2-4-10(11)15)8-17-12(14(20)21)6-7-13(17)19/h2*2-5,12H,6-8H2,1H3,(H,20,21)
InChIKey SFCVITLZLRWWQA-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 621.474 g/mol
Solvent CDCl3
Source File Reference UWCS25029