4-tert-butyl-N-[(E)-1-(hexahydro-1H-azepin-1-ylcarbonyl)-2-(3-nitrophenyl)ethenyl]benzamide

SpectraBase Compound ID	FC7ohabtcuu
InChI	InChI=1S/C26H31N3O4/c1-26(2,3)21-13-11-20(12-14-21)24(30)27-23(25(31)28-15-6-4-5-7-16-28)18-19-9-8-10-22(17-19)29(32)33/h8-14,17-18H,4-7,15-16H2,1-3H3,(H,27,30)/b23-18+
InChIKey	WVGJBRCXCPUBCV-PTGBLXJZSA-N Google Search
Mol Weight	449.55 g/mol
Molecular Formula	C26H31N3O4
Exact Mass	449.231456 g/mol

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SpectraBase Spectrum ID	1bBo8BDn0st
Name	4-tert-butyl-N-[(E)-1-(hexahydro-1H-azepin-1-ylcarbonyl)-2-(3-nitrophenyl)ethenyl]benzamide
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/C26H31N3O4/c1-26(2,3)21-13-11-20(12-14-21)24(30)27-23(25(31)28-15-6-4-5-7-16-28)18-19-9-8-10-22(17-19)29(32)33/h8-14,17-18H,4-7,15-16H2,1-3H3,(H,27,30)/b23-18+
InChIKey	WVGJBRCXCPUBCV-PTGBLXJZSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_13260
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: 102301; Labnumber: RRHO-260; VK_ID: VK-013265
Synonyms	4-tert-butyl-N-[1-(hexahydro-1H-azepin-1-ylcarbonyl)-2-(3-nitrophenyl)ethenyl]benzamide
Temperature	318 °C