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2-[4-(8-ETHOXYCOUMARIN-3-YL)-THIAZOL-2-YL]-ACETONITRILE-HYDROBROMIDE
SpectraBase Compound ID 6LtU7WsP9ln
InChI InChI=1S/C16H12N2O3S.BrH/c1-2-20-13-5-3-4-10-8-11(16(19)21-15(10)13)12-9-22-14(18-12)6-7-17;/h3-5,8-9H,2,6H2,1H3;1H
InChIKey VGNRPBAGBHMVGW-UHFFFAOYSA-N
Mol Weight 393.26 g/mol
Molecular Formula C16H13BrN2O3S
Exact Mass 391.983026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KUppWAyyUML
Name 2-[4-(8-ETHOXYCOUMARIN-3-YL)-THIAZOL-2-YL]-ACETONITRILE-HYDROBROMIDE
Compound Number 20C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13BrN2O3S
InChI InChI=1S/C16H12N2O3S.BrH/c1-2-20-13-5-3-4-10-8-11(16(19)21-15(10)13)12-9-22-14(18-12)6-7-17;/h3-5,8-9H,2,6H2,1H3;1H
InChIKey VGNRPBAGBHMVGW-UHFFFAOYSA-N
Literature Reference Author H.M.MOHAMED,A.H.F.A.EL-WAHAB,K.A.AHMED,A.M.EL-AGRODY,A.H.BED AIR,F.A.EID,M.M.KHAF
Literature Reference Citation MOLECULES,17,971(2012)
Literature Reference DOI 10.3390/molecules17010971
Molecular Weight 393.255 g/mol
Sample ID 73067
Solvent DMSO-D6