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METHYL-1-ACETYLAMINO-2-[2-[ACETYL-(BENZYL)-AMINO]-3-METHOXY-3-OXOPROPYL]-CYCLOPENTANECARBOXYLATE
SpectraBase Compound ID BlinkQvFKQT
InChI InChI=1S/C22H30N2O6/c1-15(25)23-22(21(28)30-4)12-8-11-18(22)13-19(20(27)29-3)24(16(2)26)14-17-9-6-5-7-10-17/h5-7,9-10,18-19H,8,11-14H2,1-4H3,(H,23,25)/t18-,19-,22-/m0/s1
InChIKey KBIHDQDGYIVRAL-IPJJNNNSSA-N
Mol Weight 418.49 g/mol
Molecular Formula C22H30N2O6
Exact Mass 418.210387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Xod9fhcprI
Name METHYL-1-ACETYLAMINO-2-[2-[ACETYL-(BENZYL)-AMINO]-3-METHOXY-3-OXOPROPYL]-CYCLOPENTANECARBOXYLATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N2O6
InChI InChI=1S/C22H30N2O6/c1-15(25)23-22(21(28)30-4)12-8-11-18(22)13-19(20(27)29-3)24(16(2)26)14-17-9-6-5-7-10-17/h5-7,9-10,18-19H,8,11-14H2,1-4H3,(H,23,25)/t18-,19-,22-/m0/s1
InChIKey KBIHDQDGYIVRAL-IPJJNNNSSA-N
Literature Reference Author B.M.P.VERBIST,W.M.D.BORGGRAEVE,S.TOPPET,F.COMPERNOLLE,G.J.HO ORNAERT
Literature Reference Citation EUR.J.ORG.CHEM.,2941(2005)
Molecular Weight 418.490 g/mol
Sample ID 29454
Solvent CDCl3