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

View entire compound with spectra: 1 NMR

methyl 5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
SpectraBase Compound ID DAnMzsgd7Hm
InChI InChI=1S/C21H18ClN3O5/c1-11-14(22)5-4-6-15(11)24-19(26)16-17(21(28)30-3)23-25(18(16)20(24)27)12-7-9-13(29-2)10-8-12/h4-10,16,18H,1-3H3
InChIKey SICSYKJAIHVUAS-UHFFFAOYSA-N
Mol Weight 427.84 g/mol
Molecular Formula C21H18ClN3O5
Exact Mass 427.093498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J1GApWNZwAs
Name methyl 5-(3-chloro-2-methylphenyl)-1-(4-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/C21H18ClN3O5/c1-11-14(22)5-4-6-15(11)24-19(26)16-17(21(28)30-3)23-25(18(16)20(24)27)12-7-9-13(29-2)10-8-12/h4-10,16,18H,1-3H3
InChIKey SICSYKJAIHVUAS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7451
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: D29801; Labnumber: SPGAL3-0378; SBI_ID: SBI-007454
Temperature 315 °C