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5-bromo-2-hydroxybenzaldehyde {7-[(2E)-3-chloro-2-butenyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone

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5-bromo-2-hydroxybenzaldehyde {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 GXyAzRhnKAa
InChI InChI=1S/C18H18BrClN6O3/c1-10(20)6-7-26-14-15(24(2)18(29)25(3)16(14)28)22-17(26)23-21-9-11-8-12(19)4-5-13(11)27/h4-6,8-9,27H,7H2,1-3H3,(H,22,23)/b10-6+,21-9+
InChIKey XFZNQCMFQIPXAS-MWXYPQOQSA-N
Mol Weight 481.74 g/mol
Molecular Formula C18H18BrClN6O3
Exact Mass 480.031229 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LuiDmvxaOqd
Name 5-bromo-2-hydroxybenzaldehyde {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/C18H18BrClN6O3/c1-10(20)6-7-26-14-15(24(2)18(29)25(3)16(14)28)22-17(26)23-21-9-11-8-12(19)4-5-13(11)27/h4-6,8-9,27H,7H2,1-3H3,(H,22,23)/b10-6+,21-9+
InChIKey XFZNQCMFQIPXAS-MWXYPQOQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25221
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: D49562; Labnumber: UZROM-3931; SBI_ID: SBI-025225
Synonyms 5-bromo-2-hydroxybenzaldehyde {7-[3-chloro-2-butenyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone
Temperature 318 °C