(2Z)-2-cyano-N-(3-nitrophenyl)-3-[4-(pentyloxy)phenyl]-2-propenamide

SpectraBase Compound ID	GCInjklhIaA
InChI	InChI=1S/C21H21N3O4/c1-2-3-4-12-28-20-10-8-16(9-11-20)13-17(15-22)21(25)23-18-6-5-7-19(14-18)24(26)27/h5-11,13-14H,2-4,12H2,1H3,(H,23,25)/b17-13-
InChIKey	PBABYNRGQWWYLM-LGMDPLHJSA-N Google Search
Mol Weight	379.42 g/mol
Molecular Formula	C21H21N3O4
Exact Mass	379.153206 g/mol

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SpectraBase Spectrum ID	4In9AV1DBRO
Name	(2Z)-2-cyano-N-(3-nitrophenyl)-3-[4-(pentyloxy)phenyl]-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/C21H21N3O4/c1-2-3-4-12-28-20-10-8-16(9-11-20)13-17(15-22)21(25)23-18-6-5-7-19(14-18)24(26)27/h5-11,13-14H,2-4,12H2,1H3,(H,23,25)/b17-13-
InChIKey	PBABYNRGQWWYLM-LGMDPLHJSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_13286
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: 200059; Labnumber: EX00075825; VK_ID: VK-013291
Synonyms	2-cyano-N-(3-nitrophenyl)-3-[4-(pentyloxy)phenyl]-2-propenamide
Temperature	308 °C