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9H-purin-6-amine, 2-chloro-N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-
SpectraBase Compound ID 8sBiBsZ9Kh2
InChI InChI=1S/C18H20ClN7O2/c1-28-13-4-2-12(3-5-13)25-6-8-26(9-7-25)14(27)10-20-16-15-17(22-11-21-15)24-18(19)23-16/h2-5,11H,6-10H2,1H3,(H2,20,21,22,23,24)
InChIKey JNELVBQNMMYMOK-UHFFFAOYSA-N
Mol Weight 401.86 g/mol
Molecular Formula C18H20ClN7O2
Exact Mass 401.136701 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AOQoHJwEZ2H
Name 9H-purin-6-amine, 2-chloro-N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-
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/C18H20ClN7O2/c1-28-13-4-2-12(3-5-13)25-6-8-26(9-7-25)14(27)10-20-16-15-17(22-11-21-15)24-18(19)23-16/h2-5,11H,6-10H2,1H3,(H2,20,21,22,23,24)
InChIKey JNELVBQNMMYMOK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3863
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: F18790; Labnumber: ExLab-206196