benzenepropanoic acid, beta-[[[3-(4-methoxyphenyl)-5-isoxazolyl]carbonyl]amino]-3-nitro-, ethyl ester

SpectraBase Compound ID	IZvd4dsZvLg
InChI	InChI=1S/C22H21N3O7/c1-3-31-21(26)13-18(15-5-4-6-16(11-15)25(28)29)23-22(27)20-12-19(24-32-20)14-7-9-17(30-2)10-8-14/h4-12,18H,3,13H2,1-2H3,(H,23,27)
InChIKey	ZMYCIFVNGYKZNZ-UHFFFAOYSA-N Google Search
Mol Weight	439.42 g/mol
Molecular Formula	C22H21N3O7
Exact Mass	439.13795 g/mol

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SpectraBase Spectrum ID	1pO2dUMyODb
Name	benzenepropanoic acid, beta-[[[3-(4-methoxyphenyl)-5-isoxazolyl]carbonyl]amino]-3-nitro-, ethyl ester
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/C22H21N3O7/c1-3-31-21(26)13-18(15-5-4-6-16(11-15)25(28)29)23-22(27)20-12-19(24-32-20)14-7-9-17(30-2)10-8-14/h4-12,18H,3,13H2,1-2H3,(H,23,27)
InChIKey	ZMYCIFVNGYKZNZ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_5095
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: NMR/17311269; Labnumber: 114