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3-nitrobenzaldehyde [3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID LQR1ISoeAcs
InChI InChI=1S/C21H19N7O4/c1-13-6-8-14(9-7-13)12-27-17-18(26(2)21(30)24-19(17)29)23-20(27)25-22-11-15-4-3-5-16(10-15)28(31)32/h3-11H,12H2,1-2H3,(H,23,25)(H,24,29,30)/b22-11+
InChIKey LMJFYFFESMORBS-SSDVNMTOSA-N
Mol Weight 433.43 g/mol
Molecular Formula C21H19N7O4
Exact Mass 433.149852 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CUZwT6dKhEP
Name 3-nitrobenzaldehyde [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/C21H19N7O4/c1-13-6-8-14(9-7-13)12-27-17-18(26(2)21(30)24-19(17)29)23-20(27)25-22-11-15-4-3-5-16(10-15)28(31)32/h3-11H,12H2,1-2H3,(H,23,25)(H,24,29,30)/b22-11+
InChIKey LMJFYFFESMORBS-SSDVNMTOSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20158
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: D16327; Labnumber: UZROM-3432; SBI_ID: SBI-020162
Temperature 318 °C