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6-(4-iodo-2-methylphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
SpectraBase Compound ID 4ZmABueaPqc
InChI InChI=1S/C21H18IN3O2/c1-13-11-15(22)9-10-16(13)25-12-17-18(19(25)14-7-5-4-6-8-14)20(26)24(3)21(27)23(17)2/h4-12H,1-3H3
InChIKey IZYIBSDADJORQK-UHFFFAOYSA-N
Mol Weight 471.3 g/mol
Molecular Formula C21H18IN3O2
Exact Mass 471.044372 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I18j6ykZclA
Name 6-(4-iodo-2-methylphenyl)-1,3-dimethyl-5-phenyl-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/C21H18IN3O2/c1-13-11-15(22)9-10-16(13)25-12-17-18(19(25)14-7-5-4-6-8-14)20(26)24(3)21(27)23(17)2/h4-12H,1-3H3
InChIKey IZYIBSDADJORQK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9162
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: D52694; Labnumber: RRSHE-0101; SBI_ID: SBI-009165
Temperature 308 °C