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3-(4-iodophenyl)-2-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-2,3-dihydro-4(1H)-quinazolinone
SpectraBase Compound ID DblUA7dX1It
InChI InChI=1S/C27H22IN3O2S/c1-33-24-14-9-18(16-19(24)17-34-25-8-4-5-15-29-25)26-30-23-7-3-2-6-22(23)27(32)31(26)21-12-10-20(28)11-13-21/h2-16,26,30H,17H2,1H3
InChIKey CLPGXDLSVDSZDW-UHFFFAOYSA-N
Mol Weight 579.46 g/mol
Molecular Formula C27H22IN3O2S
Exact Mass 579.047743 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2c5UlHPrkD5
Name 3-(4-iodophenyl)-2-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-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/C27H22IN3O2S/c1-33-24-14-9-18(16-19(24)17-34-25-8-4-5-15-29-25)26-30-23-7-3-2-6-22(23)27(32)31(26)21-12-10-20(28)11-13-21/h2-16,26,30H,17H2,1H3
InChIKey CLPGXDLSVDSZDW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16565
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/8140323; UBI_ID: UBI-016568
Temperature 318 °C