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N-(4-chlorobenzyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(Z)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]guanidine

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N-(4-chlorobenzyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(Z)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]guanidine
SpectraBase Compound ID 2SFR41E2OMu
InChI InChI=1S/C25H23ClN6O3/c1-14-12-15(2)29-25(28-14)31-24(27-13-17-8-10-18(26)11-9-17)30-21(33)16(3)32-22(34)19-6-4-5-7-20(19)23(32)35/h4-12,16H,13H2,1-3H3,(H2,27,28,29,30,31,33)
InChIKey VIQWLJZWTMADFE-UHFFFAOYSA-N
Mol Weight 490.95 g/mol
Molecular Formula C25H23ClN6O3
Exact Mass 490.152016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C6lqJf5mSG0
Name N-(4-chlorobenzyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(Z)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]guanidine
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/C25H23ClN6O3/c1-14-12-15(2)29-25(28-14)31-24(27-13-17-8-10-18(26)11-9-17)30-21(33)16(3)32-22(34)19-6-4-5-7-20(19)23(32)35/h4-12,16H,13H2,1-3H3,(H2,27,28,29,30,31,33)
InChIKey VIQWLJZWTMADFE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_141
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: C26309; Labnumber: VGU-13092; SBI_ID: SBI-000143
Synonyms N-(4-chlorobenzyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]guanidine
Temperature 315 °C