pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-4-fluorophenyl)-1,4-dihydro-

SpectraBase Compound ID	1zkqdEAVEJe
InChI	InChI=1S/C20H12BrFN4O3/c21-12-5-9(1-3-13(12)22)16-11(7-23)19(24)29-20-17(16)18(25-26-20)10-2-4-14-15(6-10)28-8-27-14/h1-6,16H,8,24H2,(H,25,26)
InChIKey	JQEGDEPPNJHIAD-UHFFFAOYSA-N Google Search
Mol Weight	455.24 g/mol
Molecular Formula	C20H12BrFN4O3
Exact Mass	454.007681 g/mol

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SpectraBase Spectrum ID	DqiWpTXqYdc
Name	pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-4-fluorophenyl)-1,4-dihydro-
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/C20H12BrFN4O3/c21-12-5-9(1-3-13(12)22)16-11(7-23)19(24)29-20-17(16)18(25-26-20)10-2-4-14-15(6-10)28-8-27-14/h1-6,16H,8,24H2,(H,25,26)
InChIKey	JQEGDEPPNJHIAD-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_3161
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: NMR/11248770