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methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
SpectraBase Compound ID 2oQnLiTc4HO
InChI InChI=1S/C21H19N3O3/c1-12-4-10-16(11-5-12)24-19(17-13(2)22-23-18(17)20(24)25)14-6-8-15(9-7-14)21(26)27-3/h4-11,19H,1-3H3,(H,22,23)
InChIKey QQXYVCDNGJFOJM-UHFFFAOYSA-N
Mol Weight 361.4 g/mol
Molecular Formula C21H19N3O3
Exact Mass 361.142641 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ig3CA5DeBI5
Name methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-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/C21H19N3O3/c1-12-4-10-16(11-5-12)24-19(17-13(2)22-23-18(17)20(24)25)14-6-8-15(9-7-14)21(26)27-3/h4-11,19H,1-3H3,(H,22,23)
InChIKey QQXYVCDNGJFOJM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9478
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: D46329; Labnumber: RPGE-5943; SBI_ID: SBI-009481
Temperature 318 °C