2-[5-bromo-2-(2,2-dicyanovinyl)-4-methyl-1H-pyrrol-3-yl]ethyl benzoate

SpectraBase Compound ID	Ka4z7wJh5st
InChI	InChI=1S/C18H14BrN3O2/c1-12-15(16(22-17(12)19)9-13(10-20)11-21)7-8-24-18(23)14-5-3-2-4-6-14/h2-6,9,22H,7-8H2,1H3
InChIKey	UHJAXYOSXHKRRC-UHFFFAOYSA-N Google Search
Mol Weight	384.23 g/mol
Molecular Formula	C18H14BrN3O2
Exact Mass	383.02694 g/mol

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SpectraBase Spectrum ID	ACxMMYprWVm
Name	2-[5-bromo-2-(2,2-dicyanovinyl)-4-methyl-1H-pyrrol-3-yl]ethyl benzoate
Alternate Name(s)	benzoic acid 2-[5-bromo-2-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]ethyl ester 2-[5-bromo-2-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]ethyl benzoate 2-[5-bromanyl-2-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]ethyl benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H14BrN3O2
InChI	InChI=1S/C18H14BrN3O2/c1-12-15(16(22-17(12)19)9-13(10-20)11-21)7-8-24-18(23)14-5-3-2-4-6-14/h2-6,9,22H,7-8H2,1H3
InChIKey	UHJAXYOSXHKRRC-UHFFFAOYSA-N
Molecular Weight	384.233 g/mol
SMILES	[nH]1c(c(c(c1Br)C)CCOC(c1ccccc1)=O)C=C(C#N)C#N
SPLASH	splash10-03di-1690000000-142e58554dec165c4245
Source of Spectrum	IY-1-4271-5
Wiley ID	1650707