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1H-purine-7-acetic acid, 8-(hexahydro-1H-azepin-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-, ethyl ester
SpectraBase Compound ID 8HjuopYHj3Z
InChI InChI=1S/C16H23N5O4/c1-3-25-11(22)10-21-12-13(19(2)16(24)18-14(12)23)17-15(21)20-8-6-4-5-7-9-20/h3-10H2,1-2H3,(H,18,23,24)
InChIKey DNVDHQDTUHKIFE-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C16H23N5O4
Exact Mass 349.175004 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gl8eOkUjR3G
Name 1H-purine-7-acetic acid, 8-(hexahydro-1H-azepin-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-, ethyl ester
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/C16H23N5O4/c1-3-25-11(22)10-21-12-13(19(2)16(24)18-14(12)23)17-15(21)20-8-6-4-5-7-9-20/h3-10H2,1-2H3,(H,18,23,24)
InChIKey DNVDHQDTUHKIFE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7105
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/10328388