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2-chloro-6-fluorobenzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 8rkQFA5pG0O
InChI InChI=1S/C22H20ClFN6O2/c1-13-7-9-14(10-8-13)12-30-18-19(28(2)22(32)29(3)20(18)31)26-21(30)27-25-11-15-16(23)5-4-6-17(15)24/h4-11H,12H2,1-3H3,(H,26,27)/b25-11+
InChIKey BLQVIPVABGPWQV-OPEKNORGSA-N
Mol Weight 454.89 g/mol
Molecular Formula C22H20ClFN6O2
Exact Mass 454.13203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Z6lbnR8hiK
Name 2-chloro-6-fluorobenzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-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/C22H20ClFN6O2/c1-13-7-9-14(10-8-13)12-30-18-19(28(2)22(32)29(3)20(18)31)26-21(30)27-25-11-15-16(23)5-4-6-17(15)24/h4-11H,12H2,1-3H3,(H,26,27)/b25-11+
InChIKey BLQVIPVABGPWQV-OPEKNORGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20143
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: D16307; Labnumber: UZROM-3405; SBI_ID: SBI-020147
Temperature 318 °C