3-[(4Z)-4-(3-bromo-4-ethoxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile

SpectraBase Compound ID	ERXgMWcxpp4
InChI	InChI=1S/C17H18BrN3O3/c1-4-24-16-14(18)9-12(10-15(16)23-3)8-13-11(2)20-21(17(13)22)7-5-6-19/h8-10H,4-5,7H2,1-3H3/b13-8-
InChIKey	JUOJBNSPGXXVAB-JYRVWZFOSA-N Google Search
Mol Weight	392.25 g/mol
Molecular Formula	C17H18BrN3O3
Exact Mass	391.053154 g/mol

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SpectraBase Spectrum ID	9A5fV1hjnSZ
Name	3-[(4Z)-4-(3-bromo-4-ethoxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile
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/C17H18BrN3O3/c1-4-24-16-14(18)9-12(10-15(16)23-3)8-13-11(2)20-21(17(13)22)7-5-6-19/h8-10H,4-5,7H2,1-3H3/b13-8-
InChIKey	JUOJBNSPGXXVAB-JYRVWZFOSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_17536
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/9059288; UBI_ID: UBI-017539
Synonyms	3-[4-(3-bromo-4-ethoxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile
Temperature	308 °C