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METHYL-2-[2-[2-(4-CHLOROPHENYL)-6A-ISOPROPYL-3,6-DIOXOHEXAHYDROPYRROLO-[3,4-C]-PYRAZOL-5(1H)-YL]-ACETAMIDO]-PROPANOATE;DIASTEREOMER-A

View entire compound with spectra: 2 NMR

METHYL-2-[2-[2-(4-CHLOROPHENYL)-6A-ISOPROPYL-3,6-DIOXOHEXAHYDROPYRROLO-[3,4-C]-PYRAZOL-5(1H)-YL]-ACETAMIDO]-PROPANOATE;DIASTEREOMER-A
SpectraBase Compound ID 8jdztLjhF83
InChI InChI=1S/C20H25ClN4O5/c1-11(2)20-15(17(27)25(23-20)14-7-5-13(21)6-8-14)9-24(19(20)29)10-16(26)22-12(3)18(28)30-4/h5-8,11-12,15,23H,9-10H2,1-4H3,(H,22,26)
InChIKey RXDDSQXOEFZJBD-UHFFFAOYSA-N
Mol Weight 436.9 g/mol
Molecular Formula C20H25ClN4O5
Exact Mass 436.151348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5uIBwA7MqS0
Name METHYL-2-[2-[2-(4-CHLOROPHENYL)-6A-ISOPROPYL-3,6-DIOXOHEXAHYDROPYRROLO-[3,4-C]-PYRAZOL-5(1H)-YL]-ACETAMIDO]-PROPANOATE;DIASTEREOMER-B
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25ClN4O5
InChI InChI=1S/C20H25ClN4O5/c1-11(2)20-15(17(27)25(23-20)14-7-5-13(21)6-8-14)9-24(19(20)29)10-16(26)22-12(3)18(28)30-4/h5-8,11-12,15,23H,9-10H2,1-4H3,(H,22,26)
InChIKey RXDDSQXOEFZJBD-UHFFFAOYSA-N
Literature Reference Author A.D.SANTOS,L.E.KAIM,L.GRIMAUD,C.RONSSERAY
Literature Reference Citation BEIL.J.ORG.CHEM.,7,1310(2011)
Literature Reference DOI 10.3762/bjoc.7.153
Molecular Weight 436.895 g/mol
Solvent CDCl3
Source File Reference UWBT9659