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(9E)-3-(4-chlorophenyl)-9-[4-(difluoromethoxy)benzylidene]-5-[4-(difluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
SpectraBase Compound ID JRqEfsLzeMo
InChI InChI=1S/C31H23ClF4N2O2S/c32-22-10-6-19(7-11-22)26-17-41-31-37-27-21(16-18-4-12-23(13-5-18)39-29(33)34)2-1-3-25(27)28(38(26)31)20-8-14-24(15-9-20)40-30(35)36/h4-17,28-30H,1-3H2/b21-16+
InChIKey YCHIFSBLDQQZBB-LTGZKZEYSA-N
Mol Weight 599.04 g/mol
Molecular Formula C31H23ClF4N2O2S
Exact Mass 598.11049 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kf1Bva9EjUk
Name (9E)-3-(4-chlorophenyl)-9-[4-(difluoromethoxy)benzylidene]-5-[4-(difluoromethoxy)phenyl]-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/C31H23ClF4N2O2S/c32-22-10-6-19(7-11-22)26-17-41-31-37-27-21(16-18-4-12-23(13-5-18)39-29(33)34)2-1-3-25(27)28(38(26)31)20-8-14-24(15-9-20)40-30(35)36/h4-17,28-30H,1-3H2/b21-16+
InChIKey YCHIFSBLDQQZBB-LTGZKZEYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3052
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Source File Reference VendorID: 120045; Labnumber: GELNCE-030; VK_ID: VK-003053
Synonyms 3-(4-chlorophenyl)-9-[4-(difluoromethoxy)benzylidene]-5-[4-(difluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Temperature 305 °C