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3-[6-(2-bromo-4-methylphenoxy)hexyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID CjOVyODkCCE
InChI InChI=1S/C28H29BrN2O3/c1-20-11-16-26(24(29)19-20)34-18-8-4-3-7-17-31-27(21-12-14-22(33-2)15-13-21)30-25-10-6-5-9-23(25)28(31)32/h5-6,9-16,19H,3-4,7-8,17-18H2,1-2H3
InChIKey MQCYLCZCAZFDID-UHFFFAOYSA-N
Mol Weight 521.46 g/mol
Molecular Formula C28H29BrN2O3
Exact Mass 520.136156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 35Aito9PH9O
Name 3-[6-(2-bromo-4-methylphenoxy)hexyl]-2-(4-methoxyphenyl)-4(3H)-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/C28H29BrN2O3/c1-20-11-16-26(24(29)19-20)34-18-8-4-3-7-17-31-27(21-12-14-22(33-2)15-13-21)30-25-10-6-5-9-23(25)28(31)32/h5-6,9-16,19H,3-4,7-8,17-18H2,1-2H3
InChIKey MQCYLCZCAZFDID-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25336
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: D49701; Labnumber: RNOP4-0679; SBI_ID: SBI-025340
Temperature 318 °C