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1,3-dimethyl-7-(2-methylbenzyl)-8-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID JmmHL6fOr4k
InChI InChI=1S/C21H25N5O3S/c1-14-8-4-5-9-15(14)12-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)30-13-16(27)25-10-6-7-11-25/h4-5,8-9H,6-7,10-13H2,1-3H3
InChIKey NHVVGCIRTFGWKN-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C21H25N5O3S
Exact Mass 427.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GATgrGKBKC8
Name 1,3-dimethyl-7-(2-methylbenzyl)-8-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-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/C21H25N5O3S/c1-14-8-4-5-9-15(14)12-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)30-13-16(27)25-10-6-7-11-25/h4-5,8-9H,6-7,10-13H2,1-3H3
InChIKey NHVVGCIRTFGWKN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35530
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: E91184; SBI_ID: SBI-035534
Temperature 308 °C