methyl 4-{3-[(Z)-(1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate

SpectraBase Compound ID	Cj6nkF4F9Cl
InChI	InChI=1S/C26H21N3O7/c1-14-10-17(15(2)28(14)18-6-4-16(5-7-18)25(32)34-3)11-20-23(30)27-26(33)29(24(20)31)19-8-9-21-22(12-19)36-13-35-21/h4-12H,13H2,1-3H3,(H,27,30,33)/b20-11-
InChIKey	ZWSWPQJCIDCQTL-JAIQZWGSSA-N Google Search
Mol Weight	487.47 g/mol
Molecular Formula	C26H21N3O7
Exact Mass	487.13795 g/mol

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SpectraBase Spectrum ID	4cn9BxRchBC
Name	methyl 4-{3-[(Z)-(1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}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/C26H21N3O7/c1-14-10-17(15(2)28(14)18-6-4-16(5-7-18)25(32)34-3)11-20-23(30)27-26(33)29(24(20)31)19-8-9-21-22(12-19)36-13-35-21/h4-12H,13H2,1-3H3,(H,27,30,33)/b20-11-
InChIKey	ZWSWPQJCIDCQTL-JAIQZWGSSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_9688
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: 133718; Labnumber: AREF2K-3249; VK_ID: VK-009692
Synonyms	methyl 4-{3-[(1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Temperature	315 °C