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hexyl 2-({(E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate
SpectraBase Compound ID 5dHyNf7esNr
InChI InChI=1S/C28H24BrN3O4S/c1-2-3-4-7-12-35-27(33)21-8-5-6-9-23(21)31-16-19(15-30)26-32-24(17-37-26)22-14-18-13-20(29)10-11-25(18)36-28(22)34/h5-6,8-11,13-14,16-17,31H,2-4,7,12H2,1H3/b19-16+
InChIKey ZNQQBAJYWMWXRJ-KNTRCKAVSA-N
Mol Weight 578.48 g/mol
Molecular Formula C28H24BrN3O4S
Exact Mass 577.06709 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FwIwgc87vE0
Name hexyl 2-({(E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate
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/C28H24BrN3O4S/c1-2-3-4-7-12-35-27(33)21-8-5-6-9-23(21)31-16-19(15-30)26-32-24(17-37-26)22-14-18-13-20(29)10-11-25(18)36-28(22)34/h5-6,8-11,13-14,16-17,31H,2-4,7,12H2,1H3/b19-16+
InChIKey ZNQQBAJYWMWXRJ-KNTRCKAVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4776
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: 121576; Labnumber: ULGAP-20-4404; VK_ID: VK-004777
Synonyms hexyl 2-({2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate
Temperature 315 °C