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ethyl 4-(4-(2-methoxyphenyl)-3-methyl-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
SpectraBase Compound ID PR0t6wg2HX
InChI InChI=1S/C22H21N3O4/c1-4-29-22(27)14-9-11-15(12-10-14)25-20(16-7-5-6-8-17(16)28-3)18-13(2)23-24-19(18)21(25)26/h5-12,20H,4H2,1-3H3,(H,23,24)
InChIKey ROEKHKIHBSFQES-UHFFFAOYSA-N
Mol Weight 391.43 g/mol
Molecular Formula C22H21N3O4
Exact Mass 391.153206 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CefSiwQTuPa
Name ethyl 4-(4-(2-methoxyphenyl)-3-methyl-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H21N3O4/c1-4-29-22(27)14-9-11-15(12-10-14)25-20(16-7-5-6-8-17(16)28-3)18-13(2)23-24-19(18)21(25)26/h5-12,20H,4H2,1-3H3,(H,23,24)
InChIKey ROEKHKIHBSFQES-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21232
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: D52280; Labnumber: RPGE-5671; SBI_ID: SBI-021236
Temperature 318 °C