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7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DXpynS5v3L1
InChI InChI=1S/C19H21N7O2S/c1-24-15-14(16(27)23-19(24)28)26(18(22-15)25-8-4-5-9-25)10-11-29-17-20-12-6-2-3-7-13(12)21-17/h2-3,6-7H,4-5,8-11H2,1H3,(H,20,21)(H,23,27,28)
InChIKey ASUFXZUHIHGTAO-UHFFFAOYSA-N
Mol Weight 411.48 g/mol
Molecular Formula C19H21N7O2S
Exact Mass 411.147744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 353e16mweRp
Name 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1-pyrrolidinyl)-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/C19H21N7O2S/c1-24-15-14(16(27)23-19(24)28)26(18(22-15)25-8-4-5-9-25)10-11-29-17-20-12-6-2-3-7-13(12)21-17/h2-3,6-7H,4-5,8-11H2,1H3,(H,20,21)(H,23,27,28)
InChIKey ASUFXZUHIHGTAO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20075
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: D17608; Labnumber: UZ01F011-2339; SBI_ID: SBI-020079
Temperature 306 °C