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8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione

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8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID ElMSR4f4I1f
InChI InChI=1S/C18H19N5O2S2/c1-3-4-7-10-23-13-14(22(2)16(25)21-15(13)24)20-17(23)27-18-19-11-8-5-6-9-12(11)26-18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,21,24,25)
InChIKey IRSCSUYQQBSTMS-UHFFFAOYSA-N
Mol Weight 401.5 g/mol
Molecular Formula C18H19N5O2S2
Exact Mass 401.098017 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ft8ItkxUWbm
Name 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-pentyl-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/C18H19N5O2S2/c1-3-4-7-10-23-13-14(22(2)16(25)21-15(13)24)20-17(23)27-18-19-11-8-5-6-9-12(11)26-18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,21,24,25)
InChIKey IRSCSUYQQBSTMS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26830
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: D67359; Labnumber: UZ01F011-4211; SBI_ID: SBI-026834
Temperature 308 °C