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7-allyl-1,3-dimethyl-8-{[2-(4-methyl-1-piperidinyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AHFuB9MBgNH
InChI InChI=1S/C18H25N5O3S/c1-5-8-23-14-15(20(3)18(26)21(4)16(14)25)19-17(23)27-11-13(24)22-9-6-12(2)7-10-22/h5,12H,1,6-11H2,2-4H3
InChIKey SPVNOSRYNCQCJQ-UHFFFAOYSA-N
Mol Weight 391.49 g/mol
Molecular Formula C18H25N5O3S
Exact Mass 391.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gje7WSXQikT
Name 7-allyl-1,3-dimethyl-8-{[2-(4-methyl-1-piperidinyl)-2-oxoethyl]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/C18H25N5O3S/c1-5-8-23-14-15(20(3)18(26)21(4)16(14)25)19-17(23)27-11-13(24)22-9-6-12(2)7-10-22/h5,12H,1,6-11H2,2-4H3
InChIKey SPVNOSRYNCQCJQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35531
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: E91185; SBI_ID: SBI-035535
Temperature 308 °C