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(9E)-9-[4-(difluoromethoxy)benzylidene]-5-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
SpectraBase Compound ID Iact2obbAZP
InChI InChI=1S/C32H26F4N2O3S/c1-39-23-13-7-20(8-14-23)27-18-42-32-37-28-22(17-19-5-11-24(12-6-19)40-30(33)34)3-2-4-26(28)29(38(27)32)21-9-15-25(16-10-21)41-31(35)36/h5-18,29-31H,2-4H2,1H3/b22-17+
InChIKey XBQHKIXDDHTQOP-OQKWZONESA-N
Mol Weight 594.6 g/mol
Molecular Formula C32H26F4N2O3S
Exact Mass 594.160027 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 324czRtWyxw
Name (9E)-9-[4-(difluoromethoxy)benzylidene]-5-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
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/C32H26F4N2O3S/c1-39-23-13-7-20(8-14-23)27-18-42-32-37-28-22(17-19-5-11-24(12-6-19)40-30(33)34)3-2-4-26(28)29(38(27)32)21-9-15-25(16-10-21)41-31(35)36/h5-18,29-31H,2-4H2,1H3/b22-17+
InChIKey XBQHKIXDDHTQOP-OQKWZONESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8082
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: 132468; Labnumber: GELNCE-018; VK_ID: VK-008086
Synonyms 9-[4-(difluoromethoxy)benzylidene]-5-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Temperature 318 °C