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3H-pyrazol-3-one, 4-[[(E)-[5-[(E)-(4-amino-1,2,5-oxadiazol-3-yl)azo]-2-hydroxyphenyl]methylidene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
SpectraBase Compound ID 7jxJZXbSNRb
InChI InChI=1S/C20H18N8O3/c1-12-17(20(30)28(27(12)2)15-6-4-3-5-7-15)22-11-13-10-14(8-9-16(13)29)23-24-19-18(21)25-31-26-19/h3-11,29H,1-2H3,(H2,21,25)/b22-11+,24-23+
InChIKey SICJVQQOXAEBOU-YRDALPOASA-N
Mol Weight 418.42 g/mol
Molecular Formula C20H18N8O3
Exact Mass 418.150186 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KnAzFBYW0HT
Name 3H-pyrazol-3-one, 4-[[(E)-[5-[(E)-(4-amino-1,2,5-oxadiazol-3-yl)azo]-2-hydroxyphenyl]methylidene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
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/C20H18N8O3/c1-12-17(20(30)28(27(12)2)15-6-4-3-5-7-15)22-11-13-10-14(8-9-16(13)29)23-24-19-18(21)25-31-26-19/h3-11,29H,1-2H3,(H2,21,25)/b22-11+,24-23+
InChIKey SICJVQQOXAEBOU-YRDALPOASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3749
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: AG-205/5057722; Labnumber: MAR-873; IOH_ID: IOH-010752