(2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-2-propenamide

SpectraBase Compound ID	LojQXqtFooW
InChI	InChI=1S/C21H16BrN3O3/c22-17-9-20-19(27-12-28-20)8-14(17)7-15(10-23)21(26)24-6-5-13-11-25-18-4-2-1-3-16(13)18/h1-4,7-9,11,25H,5-6,12H2,(H,24,26)/b15-7+
InChIKey	HRPKGOQIJAQUGC-VIZOYTHASA-N Google Search
Mol Weight	438.28 g/mol
Molecular Formula	C21H16BrN3O3
Exact Mass	437.037504 g/mol

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SpectraBase Spectrum ID	9fHAMzhbkgI
Name	(2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-2-propenamide
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/C21H16BrN3O3/c22-17-9-20-19(27-12-28-20)8-14(17)7-15(10-23)21(26)24-6-5-13-11-25-18-4-2-1-3-16(13)18/h1-4,7-9,11,25H,5-6,12H2,(H,24,26)/b15-7+
InChIKey	HRPKGOQIJAQUGC-VIZOYTHASA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2935
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: D06134; Labnumber: AREF2K-1146; SBI_ID: SBI-002937
Synonyms	3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-2-propenamide
Temperature	315 °C