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1-(4-nitrobenzyl)-1,9-dihydro-6H-purin-6-one

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1-(4-nitrobenzyl)-1,9-dihydro-6H-purin-6-one
SpectraBase Compound ID 2lRfnCPus7J
InChI InChI=1S/C12H9N5O3/c18-12-10-11(14-6-13-10)15-7-16(12)5-8-1-3-9(4-2-8)17(19)20/h1-4,6-7H,5H2,(H,13,14)
InChIKey BLRIXZNYJMLUQG-UHFFFAOYSA-N
Mol Weight 271.24 g/mol
Molecular Formula C12H9N5O3
Exact Mass 271.070539 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Ds9g1q3FK
Name 1-(4-nitrobenzyl)-1,9-dihydro-6H-purin-6-one
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/C12H9N5O3/c18-12-10-11(14-6-13-10)15-7-16(12)5-8-1-3-9(4-2-8)17(19)20/h1-4,6-7H,5H2,(H,13,14)
InChIKey BLRIXZNYJMLUQG-UHFFFAOYSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_624
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: ZI/8043066; Labnumber: CEP-0001246; IOH_ID: IOH-000625
Temperature 313 °C