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2-[5-bromo-2-(2-propynyloxy)phenyl]-3-({(E)-[5-bromo-2-(2-propynyloxy)phenyl]methylidene}amino)-2,3-dihydro-4(1H)-quinazolinone

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2-[5-bromo-2-(2-propynyloxy)phenyl]-3-({(E)-[5-bromo-2-(2-propynyloxy)phenyl]methylidene}amino)-2,3-dihydro-4(1H)-quinazolinone
SpectraBase Compound ID 2J4k000KN4O
InChI InChI=1S/C27H19Br2N3O3/c1-3-13-34-24-11-9-19(28)15-18(24)17-30-32-26(31-23-8-6-5-7-21(23)27(32)33)22-16-20(29)10-12-25(22)35-14-4-2/h1-2,5-12,15-17,26,31H,13-14H2/b30-17+
InChIKey ATSFDJGIVLJOSN-OCSSWDANSA-N
Mol Weight 593.28 g/mol
Molecular Formula C27H19Br2N3O3
Exact Mass 590.979317 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BpaRmfKLiMf
Name 2-[5-bromo-2-(2-propynyloxy)phenyl]-3-({(E)-[5-bromo-2-(2-propynyloxy)phenyl]methylidene}amino)-2,3-dihydro-4(1H)-quinazolinone
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/C27H19Br2N3O3/c1-3-13-34-24-11-9-19(28)15-18(24)17-30-32-26(31-23-8-6-5-7-21(23)27(32)33)22-16-20(29)10-12-25(22)35-14-4-2/h1-2,5-12,15-17,26,31H,13-14H2/b30-17+
InChIKey ATSFDJGIVLJOSN-OCSSWDANSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5737
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/8170373; UBI_ID: UBI-005739
Synonyms 2-[5-bromo-2-(2-propynyloxy)phenyl]-3-({[5-bromo-2-(2-propynyloxy)phenyl]methylidene}amino)-2,3-dihydro-4(1H)-quinazolinone
Temperature 318 °C