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

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8-(1,3-benzothiazol-2-ylsulfanyl)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 95hRM7hjFgW
InChI InChI=1S/C21H16ClN5O2S2/c1-25-17-16(18(28)26(2)21(25)29)27(11-12-7-3-4-8-13(12)22)19(24-17)31-20-23-14-9-5-6-10-15(14)30-20/h3-10H,11H2,1-2H3
InChIKey SCALBGKJZWKRTQ-UHFFFAOYSA-N
Mol Weight 469.97 g/mol
Molecular Formula C21H16ClN5O2S2
Exact Mass 469.043395 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EXYIo5AshkU
Name 8-(1,3-benzothiazol-2-ylsulfanyl)-7-(2-chlorobenzyl)-1,3-dimethyl-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/C21H16ClN5O2S2/c1-25-17-16(18(28)26(2)21(25)29)27(11-12-7-3-4-8-13(12)22)19(24-17)31-20-23-14-9-5-6-10-15(14)30-20/h3-10H,11H2,1-2H3
InChIKey SCALBGKJZWKRTQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27858
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: D78019; Labnumber: UZ01F011-4204; SBI_ID: SBI-027862
Temperature 318 °C