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4-(allyloxy)-N-(2-[2-bromo-5-(2-propynyloxy)phenyl]-6-iodo-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide
SpectraBase Compound ID GiJ49fGU7E4
InChI InChI=1S/C27H21BrIN3O4/c1-3-13-35-19-8-5-17(6-9-19)26(33)31-32-25(21-16-20(36-14-4-2)10-11-23(21)28)30-24-12-7-18(29)15-22(24)27(32)34/h2-3,5-12,15-16,25,30H,1,13-14H2,(H,31,33)
InChIKey PMNRHKOLQFXVEP-UHFFFAOYSA-N
Mol Weight 658.29 g/mol
Molecular Formula C27H21BrIN3O4
Exact Mass 656.976014 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2pjndspjyzp
Name 4-(allyloxy)-N-(2-[2-bromo-5-(2-propynyloxy)phenyl]-6-iodo-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide
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/C27H21BrIN3O4/c1-3-13-35-19-8-5-17(6-9-19)26(33)31-32-25(21-16-20(36-14-4-2)10-11-23(21)28)30-24-12-7-18(29)15-22(24)27(32)34/h2-3,5-12,15-16,25,30H,1,13-14H2,(H,31,33)
InChIKey PMNRHKOLQFXVEP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16460
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/8120174; UBI_ID: UBI-016463
Temperature 318 °C