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N-(4-CHLOROBENZYL)-2-(6A-METHYL-3,6-DIOXO-2-PHENYL-HEXAHYDROPYRROLO-[3,4-C]-PYRAZOL-5(1H)-YL)-ACETAMIDE
SpectraBase Compound ID 6J9lJ64bItG
InChI InChI=1S/C21H21ClN4O3/c1-21-17(19(28)26(24-21)16-5-3-2-4-6-16)12-25(20(21)29)13-18(27)23-11-14-7-9-15(22)10-8-14/h2-10,17,24H,11-13H2,1H3,(H,23,27)
InChIKey RBHPSTXBSFZHBA-UHFFFAOYSA-N
Mol Weight 412.88 g/mol
Molecular Formula C21H21ClN4O3
Exact Mass 412.130218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HriBuRi0o7d
Name N-(4-CHLOROBENZYL)-2-(6A-METHYL-3,6-DIOXO-2-PHENYL-HEXAHYDROPYRROLO-[3,4-C]-PYRAZOL-5(1H)-YL)-ACETAMIDE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21ClN4O3
InChI InChI=1S/C21H21ClN4O3/c1-21-17(19(28)26(24-21)16-5-3-2-4-6-16)12-25(20(21)29)13-18(27)23-11-14-7-9-15(22)10-8-14/h2-10,17,24H,11-13H2,1H3,(H,23,27)
InChIKey RBHPSTXBSFZHBA-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 412.876 g/mol
Solvent CDCl3
Source File Reference UWBT9656