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1-{1,3-dimethyl-2,4,6-trioxo-5-[2-(4-pyridinyl)ethyl]hexahydro-5-pyrimidinyl}cyclohexanecarbonitrile
SpectraBase Compound ID IpQeYM1xkOE
InChI InChI=1S/C20H24N4O3/c1-23-16(25)20(17(26)24(2)18(23)27,11-6-15-7-12-22-13-8-15)19(14-21)9-4-3-5-10-19/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKey JPULRIZUIHDEHJ-UHFFFAOYSA-N
Mol Weight 368.44 g/mol
Molecular Formula C20H24N4O3
Exact Mass 368.184841 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQc4ts4R7pt
Name 1-{1,3-dimethyl-2,4,6-trioxo-5-[2-(4-pyridinyl)ethyl]hexahydro-5-pyrimidinyl}cyclohexanecarbonitrile
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/C20H24N4O3/c1-23-16(25)20(17(26)24(2)18(23)27,11-6-15-7-12-22-13-8-15)19(14-21)9-4-3-5-10-19/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKey JPULRIZUIHDEHJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7403
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: D29715; Labnumber: KVEX-50007; SBI_ID: SBI-007406
Temperature 315 °C