(4E)-2-(3-bromophenyl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	eIdcx7J8un
InChI	InChI=1S/C18H12BrN3O5/c1-10-14(18(23)21(20-10)13-4-2-3-12(19)7-13)5-11-6-16-17(27-9-26-16)8-15(11)22(24)25/h2-8H,9H2,1H3/b14-5+
InChIKey	LIPWXGICRCVDJQ-LHHJGKSTSA-N Google Search
Mol Weight	430.21 g/mol
Molecular Formula	C18H12BrN3O5
Exact Mass	428.996033 g/mol

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SpectraBase Spectrum ID	Lc8C9Fn0GKn
Name	(4E)-2-(3-bromophenyl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2,4-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/C18H12BrN3O5/c1-10-14(18(23)21(20-10)13-4-2-3-12(19)7-13)5-11-6-16-17(27-9-26-16)8-15(11)22(24)25/h2-8H,9H2,1H3/b14-5+
InChIKey	LIPWXGICRCVDJQ-LHHJGKSTSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_5000
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: UZI/8029205; Labnumber: BMW-0085663Me; UZI_ID: UZI-005002
Synonyms	2-(3-bromophenyl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2,4-dihydro-3H-pyrazol-3-one
Temperature	318 °C