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

SpectraBase Compound ID	8RnQNQ5iYe3
InChI	InChI=1S/C23H23N5O5/c1-3-14-5-11-17(12-6-14)28-21(30)19-20(22(28)31)27(26-25-19)13-18(29)24-16-9-7-15(8-10-16)23(32)33-4-2/h5-12,19-20H,3-4,13H2,1-2H3,(H,24,29)
InChIKey	FBXISWAPYPCUEL-UHFFFAOYSA-N Google Search
Mol Weight	449.47 g/mol
Molecular Formula	C23H23N5O5
Exact Mass	449.169919 g/mol

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SpectraBase Spectrum ID	DwvplQpTnjs
Name	ethyl 4-{[(5-(4-ethylphenyl)-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/C23H23N5O5/c1-3-14-5-11-17(12-6-14)28-21(30)19-20(22(28)31)27(26-25-19)13-18(29)24-16-9-7-15(8-10-16)23(32)33-4-2/h5-12,19-20H,3-4,13H2,1-2H3,(H,24,29)
InChIKey	FBXISWAPYPCUEL-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_9052
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/1263784; Labnumber: Gbb0305; UZI_ID: UZI-009054
Temperature	318 °C