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7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione

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7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5iZmYG8orZA
InChI InChI=1S/C21H27N5O4/c1-23-18-17(19(28)24(2)21(23)29)26(20(22-18)25-11-7-4-8-12-25)13-15(27)14-30-16-9-5-3-6-10-16/h3,5-6,9-10,15,27H,4,7-8,11-14H2,1-2H3
InChIKey PQEMLCAVEMGOLQ-UHFFFAOYSA-N
Mol Weight 413.48 g/mol
Molecular Formula C21H27N5O4
Exact Mass 413.206304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 48JeRtQKrhs
Name 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(1-piperidinyl)-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/C21H27N5O4/c1-23-18-17(19(28)24(2)21(23)29)26(20(22-18)25-11-7-4-8-12-25)13-15(27)14-30-16-9-5-3-6-10-16/h3,5-6,9-10,15,27H,4,7-8,11-14H2,1-2H3
InChIKey PQEMLCAVEMGOLQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25279
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: D49632; Labnumber: UZROM-4027; SBI_ID: SBI-025283
Temperature 318 °C