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benzyl {[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
SpectraBase Compound ID HSelzyTX4VW
InChI InChI=1S/C19H22N4O5S/c1-3-27-10-9-23-15-16(22(2)18(26)21-17(15)25)20-19(23)29-12-14(24)28-11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,21,25,26)
InChIKey PEPPYVVQIKAQPP-UHFFFAOYSA-N
Mol Weight 418.47 g/mol
Molecular Formula C19H22N4O5S
Exact Mass 418.131091 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B5TgNyZXTUB
Name benzyl {[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
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/C19H22N4O5S/c1-3-27-10-9-23-15-16(22(2)18(26)21-17(15)25)20-19(23)29-12-14(24)28-11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,21,25,26)
InChIKey PEPPYVVQIKAQPP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20731
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: D17603; Labnumber: UZ01F011-2279; SBI_ID: SBI-020735
Temperature 315 °C