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7-(4-fluorobenzyl)-1,3-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EFrcfYge3Vz
InChI InChI=1S/C22H21FN6O2/c1-14(16-7-5-4-6-8-16)25-26-21-24-19-18(20(30)28(3)22(31)27(19)2)29(21)13-15-9-11-17(23)12-10-15/h4-12H,13H2,1-3H3,(H,24,26)/b25-14+
InChIKey FTNOYXMQEWBDEU-AFUMVMLFSA-N
Mol Weight 420.45 g/mol
Molecular Formula C22H21FN6O2
Exact Mass 420.171002 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 21QATnMaWYz
Name 7-(4-fluorobenzyl)-1,3-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazino]-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/C22H21FN6O2/c1-14(16-7-5-4-6-8-16)25-26-21-24-19-18(20(30)28(3)22(31)27(19)2)29(21)13-15-9-11-17(23)12-10-15/h4-12H,13H2,1-3H3,(H,24,26)/b25-14+
InChIKey FTNOYXMQEWBDEU-AFUMVMLFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20188
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: D16367; Labnumber: UZROM-3488; SBI_ID: SBI-020192
Synonyms 7-(4-fluorobenzyl)-1,3-dimethyl-8-[2-(1-phenylethylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione
Temperature 318 °C