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4,6-pyrimidinediamine, 5-nitro-N~4~,N~6~-bis[(4-propoxyphenyl)methyl]-
SpectraBase Compound ID DTi455kDlFh
InChI InChI=1S/C24H29N5O4/c1-3-13-32-20-9-5-18(6-10-20)15-25-23-22(29(30)31)24(28-17-27-23)26-16-19-7-11-21(12-8-19)33-14-4-2/h5-12,17H,3-4,13-16H2,1-2H3,(H2,25,26,27,28)
InChIKey SHQCSMGFPVJSQC-UHFFFAOYSA-N
Mol Weight 451.53 g/mol
Molecular Formula C24H29N5O4
Exact Mass 451.221954 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 80EABIQ4KHh
Name 4,6-pyrimidinediamine, 5-nitro-N~4~,N~6~-bis[(4-propoxyphenyl)methyl]-
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/C24H29N5O4/c1-3-13-32-20-9-5-18(6-10-20)15-25-23-22(29(30)31)24(28-17-27-23)26-16-19-7-11-21(12-8-19)33-14-4-2/h5-12,17H,3-4,13-16H2,1-2H3,(H2,25,26,27,28)
InChIKey SHQCSMGFPVJSQC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7348
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/12238732