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2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-(4-fluorophenyl)-2,3-dihydro-4(1H)-quinazolinone
SpectraBase Compound ID DEpjaV2Aqzb
InChI InChI=1S/C29H22FN3O2S2/c1-35-25-15-10-18(16-19(25)17-36-29-32-24-8-4-5-9-26(24)37-29)27-31-23-7-3-2-6-22(23)28(34)33(27)21-13-11-20(30)12-14-21/h2-16,27,31H,17H2,1H3
InChIKey YQBXYWLPKCSSAP-UHFFFAOYSA-N
Mol Weight 527.63 g/mol
Molecular Formula C29H22FN3O2S2
Exact Mass 527.113747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GvZzpq13nl2
Name 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-(4-fluorophenyl)-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/C29H22FN3O2S2/c1-35-25-15-10-18(16-19(25)17-36-29-32-24-8-4-5-9-26(24)37-29)27-31-23-7-3-2-6-22(23)28(34)33(27)21-13-11-20(30)12-14-21/h2-16,27,31H,17H2,1H3
InChIKey YQBXYWLPKCSSAP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12616
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: 101084; Labnumber: NCD1-085; VK_ID: VK-012621
Temperature 318 °C