For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Bbhp8XUrhQ5
InChI InChI=1S/C20H22N6O2S2/c1-24-16-15(17(27)23-19(24)28)26(18(22-16)25-9-5-2-6-10-25)11-12-29-20-21-13-7-3-4-8-14(13)30-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,23,27,28)
InChIKey XZXDMXBZOJMRAJ-UHFFFAOYSA-N
Mol Weight 442.56 g/mol
Molecular Formula C20H22N6O2S2
Exact Mass 442.124566 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LUq03aiJmAp
Name 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1-piperidinyl)-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/C20H22N6O2S2/c1-24-16-15(17(27)23-19(24)28)26(18(22-16)25-9-5-2-6-10-25)11-12-29-20-21-13-7-3-4-8-14(13)30-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,23,27,28)
InChIKey XZXDMXBZOJMRAJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7615
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: D31309; Labnumber: UZ01F011-2558; SBI_ID: SBI-007618
Temperature 318 °C