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2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
SpectraBase Compound ID 6EbA6DgSZAH
InChI InChI=1S/C21H27N5O3S/c1-6-7-11-26-17-18(24(4)21(29)25(5)19(17)28)23-20(26)30-12-15(27)22-16-13(2)9-8-10-14(16)3/h8-10H,6-7,11-12H2,1-5H3,(H,22,27)
InChIKey LKCQFICBBYRVPZ-UHFFFAOYSA-N
Mol Weight 429.54 g/mol
Molecular Formula C21H27N5O3S
Exact Mass 429.183461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AOwcuDG3h8l
Name 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
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/C21H27N5O3S/c1-6-7-11-26-17-18(24(4)21(29)25(5)19(17)28)23-20(26)30-12-15(27)22-16-13(2)9-8-10-14(16)3/h8-10H,6-7,11-12H2,1-5H3,(H,22,27)
InChIKey LKCQFICBBYRVPZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6112
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: NMR/11242338; Labnumber: SAD-0002987; IOH_ID: IOH-006113