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1H-purine-2,6-dione, 7-butyl-8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-3-methyl-
SpectraBase Compound ID BSejcFMoCtG
InChI InChI=1S/C16H25N5O2/c1-3-4-11-21-12-13(19(2)16(23)18-14(12)22)17-15(21)20-9-7-5-6-8-10-20/h3-11H2,1-2H3,(H,18,22,23)
InChIKey KQWXEVUKCXDXTF-UHFFFAOYSA-N
Mol Weight 319.41 g/mol
Molecular Formula C16H25N5O2
Exact Mass 319.200825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9P3ij4HefZ2
Name 1H-purine-2,6-dione, 7-butyl-8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-3-methyl-
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/C16H25N5O2/c1-3-4-11-21-12-13(19(2)16(23)18-14(12)22)17-15(21)20-9-7-5-6-8-10-20/h3-11H2,1-2H3,(H,18,22,23)
InChIKey KQWXEVUKCXDXTF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7119
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: NMR/10328403