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6-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
SpectraBase Compound ID IF39NsrEGDQ
InChI InChI=1S/C22H20ClN3O3/c1-13-5-7-14(8-6-13)20-19-17(24(2)22(28)25(3)21(19)27)12-26(20)15-9-10-18(29-4)16(23)11-15/h5-12H,1-4H3
InChIKey CWQKTDGTPKYEQL-UHFFFAOYSA-N
Mol Weight 409.87 g/mol
Molecular Formula C22H20ClN3O3
Exact Mass 409.119319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Iy2PoYSCWMn
Name 6-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
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/C22H20ClN3O3/c1-13-5-7-14(8-6-13)20-19-17(24(2)22(28)25(3)21(19)27)12-26(20)15-9-10-18(29-4)16(23)11-15/h5-12H,1-4H3
InChIKey CWQKTDGTPKYEQL-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27941
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: D79615; Labnumber: SC_0129-1280; SBI_ID: SBI-027945
Temperature 306 °C