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7-(2-chlorobenzyl)-8-[(3-ethoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID IZWYnmpP9gd
InChI InChI=1S/C18H22ClN5O3/c1-3-27-10-6-9-20-17-21-15-14(16(25)22-18(26)23(15)2)24(17)11-12-7-4-5-8-13(12)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,21)(H,22,25,26)
InChIKey LGGXHWFJRQCKQL-UHFFFAOYSA-N
Mol Weight 391.86 g/mol
Molecular Formula C18H22ClN5O3
Exact Mass 391.141117 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID wASMZknN6L
Name 7-(2-chlorobenzyl)-8-[(3-ethoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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/C18H22ClN5O3/c1-3-27-10-6-9-20-17-21-15-14(16(25)22-18(26)23(15)2)24(17)11-12-7-4-5-8-13(12)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,21)(H,22,25,26)
InChIKey LGGXHWFJRQCKQL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7658
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: D31363; Labnumber: UZ01F011-2615; SBI_ID: SBI-007661
Temperature 318 °C