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3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID HkTCClA6P9y
InChI InChI=1S/C22H22N6O3/c1-15(16-9-5-3-6-10-16)25-26-21-23-19-18(20(29)24-22(30)27(19)2)28(21)13-14-31-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3,(H,23,26)(H,24,29,30)/b25-15+
InChIKey VBKRGDHUNLPVBC-MFKUBSTISA-N
Mol Weight 418.46 g/mol
Molecular Formula C22H22N6O3
Exact Mass 418.175339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4jrWkcLrhFx
Name 3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione
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/C22H22N6O3/c1-15(16-9-5-3-6-10-16)25-26-21-23-19-18(20(29)24-22(30)27(19)2)28(21)13-14-31-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3,(H,23,26)(H,24,29,30)/b25-15+
InChIKey VBKRGDHUNLPVBC-MFKUBSTISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6615
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: D16292; Labnumber: UZROM-3390; SBI_ID: SBI-006618
Synonyms 3-methyl-7-(2-phenoxyethyl)-8-[2-(1-phenylethylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione
Temperature 318 °C