ethyl 4-{[(5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetyl]amino}benzoate

SpectraBase Compound ID	KVmRlWhbBeE
InChI	InChI=1S/C22H21N5O5/c1-3-32-22(31)14-6-8-15(9-7-14)23-17(28)12-26-19-18(24-25-26)20(29)27(21(19)30)16-10-4-13(2)5-11-16/h4-11,18-19H,3,12H2,1-2H3,(H,23,28)
InChIKey	QALZFLJOSNPDHL-UHFFFAOYSA-N Google Search
Mol Weight	435.44 g/mol
Molecular Formula	C22H21N5O5
Exact Mass	435.154269 g/mol

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SpectraBase Spectrum ID	VLHtJ0dF5l
Name	ethyl 4-{[(5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetyl]amino}benzoate
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/C22H21N5O5/c1-3-32-22(31)14-6-8-15(9-7-14)23-17(28)12-26-19-18(24-25-26)20(29)27(21(19)30)16-10-4-13(2)5-11-16/h4-11,18-19H,3,12H2,1-2H3,(H,23,28)
InChIKey	QALZFLJOSNPDHL-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_9048
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: UZI/1263510; Labnumber: Gbb0296; UZI_ID: UZI-009050
Temperature	318 °C