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ethyl 5-(3-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 5-(3-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
SpectraBase Compound ID AXS9WdBrAsj
InChI InChI=1S/C22H20ClN3O5/c1-4-31-22(29)18-17-19(26(24-18)15-9-5-6-11-16(15)30-3)21(28)25(20(17)27)14-10-7-8-13(23)12(14)2/h5-11,17,19H,4H2,1-3H3
InChIKey OCTOPBDGAYMASL-UHFFFAOYSA-N
Mol Weight 441.87 g/mol
Molecular Formula C22H20ClN3O5
Exact Mass 441.109148 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1vdF6xKMVUP
Name ethyl 5-(3-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H20ClN3O5/c1-4-31-22(29)18-17-19(26(24-18)15-9-5-6-11-16(15)30-3)21(28)25(20(17)27)14-10-7-8-13(23)12(14)2/h5-11,17,19H,4H2,1-3H3
InChIKey OCTOPBDGAYMASL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7552
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D48109; Labnumber: SPGAL3-0387; SBI_ID: SBI-007555
Temperature 318 °C