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7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(3,5-dimethyl-1-piperidinyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Ac5Qn5Lx41e
InChI InChI=1S/C22H26N6O3S/c1-13-10-14(2)12-27(11-13)20-24-18-17(19(29)25-21(30)26(18)3)28(20)8-9-32-22-23-15-6-4-5-7-16(15)31-22/h4-7,13-14H,8-12H2,1-3H3,(H,25,29,30)
InChIKey ZEVXICRMVZSAHV-UHFFFAOYSA-N
Mol Weight 454.55 g/mol
Molecular Formula C22H26N6O3S
Exact Mass 454.17871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Iaki7rgdDyc
Name 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(3,5-dimethyl-1-piperidinyl)-3-methyl-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/C22H26N6O3S/c1-13-10-14(2)12-27(11-13)20-24-18-17(19(29)25-21(30)26(18)3)28(20)8-9-32-22-23-15-6-4-5-7-16(15)31-22/h4-7,13-14H,8-12H2,1-3H3,(H,25,29,30)
InChIKey ZEVXICRMVZSAHV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22025
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: D58169; Labnumber: UZ01F011-4182; SBI_ID: SBI-022029
Temperature 318 °C