4-piperidinecarboxylic acid, 1-[5-[[3-(ethoxycarbonyl)phenyl]amino]-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl]-, ethyl ester

SpectraBase Compound ID	KHcjwtvVJXr
InChI	InChI=1S/C31H29N3O6/c1-3-38-30(36)18-12-14-34(15-13-18)24-17-23(32-20-9-7-8-19(16-20)31(37)39-4-2)25-26-27(24)33-40-29(26)22-11-6-5-10-21(22)28(25)35/h5-11,16-18,32H,3-4,12-15H2,1-2H3
InChIKey	QEKVGSZDDHHAHU-UHFFFAOYSA-N Google Search
Mol Weight	539.59 g/mol
Molecular Formula	C31H29N3O6
Exact Mass	539.205636 g/mol

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SpectraBase Spectrum ID	Bhy2gkhzHaH
Name	4-piperidinecarboxylic acid, 1-[5-[[3-(ethoxycarbonyl)phenyl]amino]-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl]-, ethyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C31H29N3O6/c1-3-38-30(36)18-12-14-34(15-13-18)24-17-23(32-20-9-7-8-19(16-20)31(37)39-4-2)25-26-27(24)33-40-29(26)22-11-6-5-10-21(22)28(25)35/h5-11,16-18,32H,3-4,12-15H2,1-2H3
InChIKey	QEKVGSZDDHHAHU-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_6788
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/12228038