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ethyl 5-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-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-(3-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
SpectraBase Compound ID JfOklZFTSMX
InChI InChI=1S/C21H17Cl2N3O4/c1-3-30-21(29)17-16-18(26(24-17)13-7-4-6-12(22)10-13)20(28)25(19(16)27)15-9-5-8-14(23)11(15)2/h4-10,16,18H,3H2,1-2H3
InChIKey IRDDNVUFRRBXFA-UHFFFAOYSA-N
Mol Weight 446.29 g/mol
Molecular Formula C21H17Cl2N3O4
Exact Mass 445.059611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HWFvRKjgUHb
Name ethyl 5-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-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/C21H17Cl2N3O4/c1-3-30-21(29)17-16-18(26(24-17)13-7-4-6-12(22)10-13)20(28)25(19(16)27)15-9-5-8-14(23)11(15)2/h4-10,16,18H,3H2,1-2H3
InChIKey IRDDNVUFRRBXFA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7443
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: D29791; Labnumber: SPGAL3-0366; SBI_ID: SBI-007446
Temperature 315 °C