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3-piperidinecarboxamide, 1-(2-chloro-9H-purin-6-yl)-N-[(3-methoxyphenyl)methyl]-
SpectraBase Compound ID 5ONShCTJvft
InChI InChI=1S/C19H21ClN6O2/c1-28-14-6-2-4-12(8-14)9-21-18(27)13-5-3-7-26(10-13)17-15-16(23-11-22-15)24-19(20)25-17/h2,4,6,8,11,13H,3,5,7,9-10H2,1H3,(H,21,27)(H,22,23,24,25)
InChIKey BXBCTOPVCULRJJ-UHFFFAOYSA-N
Mol Weight 400.87 g/mol
Molecular Formula C19H21ClN6O2
Exact Mass 400.141452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IsmTlbLwnTA
Name 3-piperidinecarboxamide, 1-(2-chloro-9H-purin-6-yl)-N-[(3-methoxyphenyl)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/C19H21ClN6O2/c1-28-14-6-2-4-12(8-14)9-21-18(27)13-5-3-7-26(10-13)17-15-16(23-11-22-15)24-19(20)25-17/h2,4,6,8,11,13H,3,5,7,9-10H2,1H3,(H,21,27)(H,22,23,24,25)
InChIKey BXBCTOPVCULRJJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1939
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: F13572; Labnumber: ExLab-206554