6-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]-2-propenoyl}amino)hexanoic acid

SpectraBase Compound ID	202yXoWPN7d
InChI	InChI=1S/C24H26N2O7/c1-31-19-8-5-4-7-17(19)23(29)26-18(24(30)25-12-6-2-3-9-22(27)28)13-16-10-11-20-21(14-16)33-15-32-20/h4-5,7-8,10-11,13-14H,2-3,6,9,12,15H2,1H3,(H,25,30)(H,26,29)(H,27,28)/b18-13-
InChIKey	HJRMPSHXVAYTDY-AQTBWJFISA-N Google Search
Mol Weight	454.48 g/mol
Molecular Formula	C24H26N2O7
Exact Mass	454.174001 g/mol

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SpectraBase Spectrum ID	78xFPBIW3kP
Name	6-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]-2-propenoyl}amino)hexanoic acid
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/C24H26N2O7/c1-31-19-8-5-4-7-17(19)23(29)26-18(24(30)25-12-6-2-3-9-22(27)28)13-16-10-11-20-21(14-16)33-15-32-20/h4-5,7-8,10-11,13-14H,2-3,6,9,12,15H2,1H3,(H,25,30)(H,26,29)(H,27,28)/b18-13-
InChIKey	HJRMPSHXVAYTDY-AQTBWJFISA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_11220
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: 802479; Labnumber: AEGU8-2142; VK_ID: VK-011224
Synonyms	6-({3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]-2-propenoyl}amino)hexanoic acid
Temperature	308 °C