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1,3-dimethyl-5-(4-methylphenyl)-6-[4-(1-piperidinylmethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

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1,3-dimethyl-5-(4-methylphenyl)-6-[4-(1-piperidinylmethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
SpectraBase Compound ID 7rzJegzS7uS
InChI InChI=1S/C27H30N4O2/c1-19-7-11-21(12-8-19)25-24-23(28(2)27(33)29(3)26(24)32)18-31(25)22-13-9-20(10-14-22)17-30-15-5-4-6-16-30/h7-14,18H,4-6,15-17H2,1-3H3
InChIKey QEHMRKMCLLJMQD-UHFFFAOYSA-N
Mol Weight 442.56 g/mol
Molecular Formula C27H30N4O2
Exact Mass 442.236876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID OWvBF0Efs0
Name 1,3-dimethyl-5-(4-methylphenyl)-6-[4-(1-piperidinylmethyl)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/C27H30N4O2/c1-19-7-11-21(12-8-19)25-24-23(28(2)27(33)29(3)26(24)32)18-31(25)22-13-9-20(10-14-22)17-30-15-5-4-6-16-30/h7-14,18H,4-6,15-17H2,1-3H3
InChIKey QEHMRKMCLLJMQD-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27933
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: D79607; Labnumber: SC_0129-1265; SBI_ID: SBI-027937
Temperature 306 °C