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5-bromo-2-hydroxybenzaldehyde [3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 8KIQzyRqrXD
InChI InChI=1S/C21H19BrN6O3/c1-12-3-5-13(6-4-12)11-28-17-18(27(2)21(31)25-19(17)30)24-20(28)26-23-10-14-9-15(22)7-8-16(14)29/h3-10,29H,11H2,1-2H3,(H,24,26)(H,25,30,31)/b23-10+
InChIKey JJKXIRSKCQAXCT-AUEPDCJTSA-N
Mol Weight 483.33 g/mol
Molecular Formula C21H19BrN6O3
Exact Mass 482.070201 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EX9E54Pk0Hp
Name 5-bromo-2-hydroxybenzaldehyde [3-methyl-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/C21H19BrN6O3/c1-12-3-5-13(6-4-12)11-28-17-18(27(2)21(31)25-19(17)30)24-20(28)26-23-10-14-9-15(22)7-8-16(14)29/h3-10,29H,11H2,1-2H3,(H,24,26)(H,25,30,31)/b23-10+
InChIKey JJKXIRSKCQAXCT-AUEPDCJTSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20159
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: D16328; Labnumber: UZROM-3433; SBI_ID: SBI-020163
Temperature 318 °C