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

SpectraBase Compound ID	Bz9iUyrShsq
InChI	InChI=1S/C21H18ClN5O5/c1-2-32-21(31)12-3-7-14(8-4-12)23-16(28)11-26-18-17(24-25-26)19(29)27(20(18)30)15-9-5-13(22)6-10-15/h3-10,17-18H,2,11H2,1H3,(H,23,28)
InChIKey	VBKZZZHXWPAWPI-UHFFFAOYSA-N Google Search
Mol Weight	455.86 g/mol
Molecular Formula	C21H18ClN5O5
Exact Mass	455.099646 g/mol

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SpectraBase Spectrum ID	4MNslDgGeFX
Name	ethyl 4-{[(5-(4-chlorophenyl)-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/C21H18ClN5O5/c1-2-32-21(31)12-3-7-14(8-4-12)23-16(28)11-26-18-17(24-25-26)19(29)27(20(18)30)15-9-5-13(22)6-10-15/h3-10,17-18H,2,11H2,1H3,(H,23,28)
InChIKey	VBKZZZHXWPAWPI-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_9050
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/1262758; Labnumber: Gbb0300; UZI_ID: UZI-009052
Temperature	318 °C