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pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(4-bromophenyl)-4,5-dihydro-4-(4-hydroxy-3-methoxyphenyl)-5-(3-methoxypropyl)-
SpectraBase Compound ID JBXmPeQ5yk6
InChI InChI=1S/C22H22BrN3O4/c1-29-11-3-10-26-21(14-6-9-16(27)17(12-14)30-2)18-19(24-25-20(18)22(26)28)13-4-7-15(23)8-5-13/h4-9,12,21,27H,3,10-11H2,1-2H3,(H,24,25)
InChIKey JIGVUOOOLIDASS-UHFFFAOYSA-N
Mol Weight 472.34 g/mol
Molecular Formula C22H22BrN3O4
Exact Mass 471.079369 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JAHNcMdheJ3
Name pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(4-bromophenyl)-4,5-dihydro-4-(4-hydroxy-3-methoxyphenyl)-5-(3-methoxypropyl)-
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/C22H22BrN3O4/c1-29-11-3-10-26-21(14-6-9-16(27)17(12-14)30-2)18-19(24-25-20(18)22(26)28)13-4-7-15(23)8-5-13/h4-9,12,21,27H,3,10-11H2,1-2H3,(H,24,25)
InChIKey JIGVUOOOLIDASS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_7280
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: NMR/18301278; Labnumber: GEI-PFA1887