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ethyl 5-(3-chloro-2-methylphenyl)-1-(3-methylphenyl)-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-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
SpectraBase Compound ID 5UUv23vUXPn
InChI InChI=1S/C22H20ClN3O4/c1-4-30-22(29)18-17-19(26(24-18)14-8-5-7-12(2)11-14)21(28)25(20(17)27)16-10-6-9-15(23)13(16)3/h5-11,17,19H,4H2,1-3H3
InChIKey ZRHQREHRPPFCNI-UHFFFAOYSA-N
Mol Weight 425.87 g/mol
Molecular Formula C22H20ClN3O4
Exact Mass 425.114234 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8XbyYuEv3wb
Name ethyl 5-(3-chloro-2-methylphenyl)-1-(3-methylphenyl)-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/C22H20ClN3O4/c1-4-30-22(29)18-17-19(26(24-18)14-8-5-7-12(2)11-14)21(28)25(20(17)27)16-10-6-9-15(23)13(16)3/h5-11,17,19H,4H2,1-3H3
InChIKey ZRHQREHRPPFCNI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18437
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: D32744; Labnumber: SPGAL3-0386; SBI_ID: SBI-018440
Temperature 306 °C