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7-(2-chloro-5-methoxybenzyl)-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID I7AlhkGy5v7
InChI InChI=1S/C18H22ClN5O4/c1-10(25)8-20-17-21-15-14(16(26)23(3)18(27)22(15)2)24(17)9-11-7-12(28-4)5-6-13(11)19/h5-7,10,25H,8-9H2,1-4H3,(H,20,21)
InChIKey YJXCHOQPWWIXEP-UHFFFAOYSA-N
Mol Weight 407.86 g/mol
Molecular Formula C18H22ClN5O4
Exact Mass 407.136032 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JF61uy1roMT
Name 7-(2-chloro-5-methoxybenzyl)-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-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/C18H22ClN5O4/c1-10(25)8-20-17-21-15-14(16(26)23(3)18(27)22(15)2)24(17)9-11-7-12(28-4)5-6-13(11)19/h5-7,10,25H,8-9H2,1-4H3,(H,20,21)
InChIKey YJXCHOQPWWIXEP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9616
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: D55510; Labnumber: LRP02-0067; SBI_ID: SBI-009619
Temperature 318 °C