N-{(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]-2-propenoyl}-beta-alanine

SpectraBase Compound ID	JxCccGK0iYw
InChI	InChI=1S/C21H20N2O7/c1-28-16-5-3-2-4-14(16)20(26)23-15(21(27)22-9-8-19(24)25)10-13-6-7-17-18(11-13)30-12-29-17/h2-7,10-11H,8-9,12H2,1H3,(H,22,27)(H,23,26)(H,24,25)/b15-10-
InChIKey	HYCNDASZAYLFFU-GDNBJRDFSA-N Google Search
Mol Weight	412.4 g/mol
Molecular Formula	C21H20N2O7
Exact Mass	412.127051 g/mol

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SpectraBase Spectrum ID	IcfmqoNDaOv
Name	N-{(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]-2-propenoyl}-beta-alanine
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/C21H20N2O7/c1-28-16-5-3-2-4-14(16)20(26)23-15(21(27)22-9-8-19(24)25)10-13-6-7-17-18(11-13)30-12-29-17/h2-7,10-11H,8-9,12H2,1H3,(H,22,27)(H,23,26)(H,24,25)/b15-10-
InChIKey	HYCNDASZAYLFFU-GDNBJRDFSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_11211
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: 802477; Labnumber: AEGU8-2135; VK_ID: VK-011215
Synonyms	N-{3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]-2-propenoyl}-beta-alanine
Temperature	308 °C