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4-fluorobenzaldehyde {7-[(2E)-3-chloro-2-butenyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone
SpectraBase Compound ID BsnfwzR0X48
InChI InChI=1S/C18H18ClFN6O2/c1-11(19)8-9-26-14-15(24(2)18(28)25(3)16(14)27)22-17(26)23-21-10-12-4-6-13(20)7-5-12/h4-8,10H,9H2,1-3H3,(H,22,23)/b11-8+,21-10+
InChIKey AWUOUWUWTYWTGM-WRNZLZEGSA-N
Mol Weight 404.83 g/mol
Molecular Formula C18H18ClFN6O2
Exact Mass 404.11638 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1XqHW5qGPij
Name 4-fluorobenzaldehyde {7-[(2E)-3-chloro-2-butenyl]-1,3-dimethyl-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/C18H18ClFN6O2/c1-11(19)8-9-26-14-15(24(2)18(28)25(3)16(14)27)22-17(26)23-21-10-12-4-6-13(20)7-5-12/h4-8,10H,9H2,1-3H3,(H,22,23)/b11-8+,21-10+
InChIKey AWUOUWUWTYWTGM-WRNZLZEGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25301
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: D49657; Labnumber: UZROM-4057; SBI_ID: SBI-025305
Synonyms 4-fluorobenzaldehyde {7-[3-chloro-2-butenyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone
Temperature 318 °C