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(2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile
SpectraBase Compound ID EBz4Q9IbfLy
InChI InChI=1S/C22H12BrN3O6S/c1-31-19-6-11(5-17(20(19)27)26(29)30)4-13(9-24)21-25-16(10-33-21)15-8-12-7-14(23)2-3-18(12)32-22(15)28/h2-8,10,27H,1H3/b13-4-
InChIKey HBVUIWJHFJDLBA-PQMHYQBVSA-N
Mol Weight 526.32 g/mol
Molecular Formula C22H12BrN3O6S
Exact Mass 524.963019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IphpMPbKFSr
Name (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile
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/C22H12BrN3O6S/c1-31-19-6-11(5-17(20(19)27)26(29)30)4-13(9-24)21-25-16(10-33-21)15-8-12-7-14(23)2-3-18(12)32-22(15)28/h2-8,10,27H,1H3/b13-4-
InChIKey HBVUIWJHFJDLBA-PQMHYQBVSA-N
NMR Offset 18.2243
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1981
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: C99555; Labnumber: ULGA8-0778; SBI_ID: SBI-001983
Synonyms 2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile
Temperature 318 °C