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1,5-dimethyl-4-[(4-nitro-7-oxo-1,3,5-cycloheptatrien-1-yl)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID K0eac00mVoX
InChI InChI=1S/C18H16N4O4/c1-12-17(18(24)21(20(12)2)13-6-4-3-5-7-13)19-15-10-8-14(22(25)26)9-11-16(15)23/h3-11H,1-2H3,(H,19,23)
InChIKey WGGBTXHCNOOHBI-UHFFFAOYSA-N
Mol Weight 352.35 g/mol
Molecular Formula C18H16N4O4
Exact Mass 352.117155 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fz2TXmqeB0P
Name 1,5-dimethyl-4-[(4-nitro-7-oxo-1,3,5-cycloheptatrien-1-yl)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
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/C18H16N4O4/c1-12-17(18(24)21(20(12)2)13-6-4-3-5-7-13)19-15-10-8-14(22(25)26)9-11-16(15)23/h3-11H,1-2H3,(H,19,23)
InChIKey WGGBTXHCNOOHBI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11602
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: 803380; Labnumber: RRBZ-033; VK_ID: VK-011607
Temperature 308 °C