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7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 9lrMCQLn1eu
InChI InChI=1S/C21H29N5O5/c1-4-14-6-8-16(9-7-14)31-13-15(27)12-26-17-18(25(2)21(29)24-19(17)28)23-20(26)22-10-5-11-30-3/h6-9,15,27H,4-5,10-13H2,1-3H3,(H,22,23)(H,24,28,29)
InChIKey PAPBCVLUDJGDAX-UHFFFAOYSA-N
Mol Weight 431.49 g/mol
Molecular Formula C21H29N5O5
Exact Mass 431.216869 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Q9QHpoTKT6
Name 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)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/C21H29N5O5/c1-4-14-6-8-16(9-7-14)31-13-15(27)12-26-17-18(25(2)21(29)24-19(17)28)23-20(26)22-10-5-11-30-3/h6-9,15,27H,4-5,10-13H2,1-3H3,(H,22,23)(H,24,28,29)
InChIKey PAPBCVLUDJGDAX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18630
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: D35169; Labnumber: UZROM-3547; SBI_ID: SBI-018633
Temperature 308 °C