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4-fluorobenzaldehyde {7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone

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4-fluorobenzaldehyde {7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone
SpectraBase Compound ID H52oHrxUthB
InChI InChI=1S/C22H20ClFN6O4/c1-29-19-18(20(32)27-22(29)33)30(11-16(31)12-34-17-8-4-14(23)5-9-17)21(26-19)28-25-10-13-2-6-15(24)7-3-13/h2-10,16,31H,11-12H2,1H3,(H,26,28)(H,27,32,33)/b25-10+
InChIKey CXMRYFUXQORAHF-KIBLKLHPSA-N
Mol Weight 486.89 g/mol
Molecular Formula C22H20ClFN6O4
Exact Mass 486.121859 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LeFpYvaeaws
Name 4-fluorobenzaldehyde {7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone
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/C22H20ClFN6O4/c1-29-19-18(20(32)27-22(29)33)30(11-16(31)12-34-17-8-4-14(23)5-9-17)21(26-19)28-25-10-13-2-6-15(24)7-3-13/h2-10,16,31H,11-12H2,1H3,(H,26,28)(H,27,32,33)/b25-10+
InChIKey CXMRYFUXQORAHF-KIBLKLHPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25305
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: D49661; Labnumber: UZROM-4063; SBI_ID: SBI-025309
Temperature 318 °C