N-(6-bromo-4-oxo-2-[4-(pentyloxy)phenyl]-1,4-dihydro-3(2H)-quinazolinyl)-1,3-benzodioxole-5-carboxamide

SpectraBase Compound ID	JB5n9hqQgjI
InChI	InChI=1S/C27H26BrN3O5/c1-2-3-4-13-34-20-9-5-17(6-10-20)25-29-22-11-8-19(28)15-21(22)27(33)31(25)30-26(32)18-7-12-23-24(14-18)36-16-35-23/h5-12,14-15,25,29H,2-4,13,16H2,1H3,(H,30,32)
InChIKey	DAGAVBHGDOEQRO-UHFFFAOYSA-N Google Search
Mol Weight	552.43 g/mol
Molecular Formula	C27H26BrN3O5
Exact Mass	551.105584 g/mol

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SpectraBase Spectrum ID	C2uqMpsxgQ7
Name	N-(6-bromo-4-oxo-2-[4-(pentyloxy)phenyl]-1,4-dihydro-3(2H)-quinazolinyl)-1,3-benzodioxole-5-carboxamide
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/C27H26BrN3O5/c1-2-3-4-13-34-20-9-5-17(6-10-20)25-29-22-11-8-19(28)15-21(22)27(33)31(25)30-26(32)18-7-12-23-24(14-18)36-16-35-23/h5-12,14-15,25,29H,2-4,13,16H2,1H3,(H,30,32)
InChIKey	DAGAVBHGDOEQRO-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_5012
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/8139684; UBI_ID: UBI-005014
Temperature	318 °C