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3'-(3''-CHLORO-3''-METHYLBUTYL)-2',4,4'-TRIHYDROXYCHALCONE
SpectraBase Compound ID 5X4MfniUgRa
InChI InChI=1S/C20H21ClO4/c1-20(2,21)12-11-16-18(24)10-8-15(19(16)25)17(23)9-5-13-3-6-14(22)7-4-13/h3-10,22,24-25H,11-12H2,1-2H3/b9-5+
InChIKey UJDJWQKWCWQLJY-WEVVVXLNSA-N
Mol Weight 360.84 g/mol
Molecular Formula C20H21ClO4
Exact Mass 360.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GrKKz4YFyv5
Name 3'-(3''-CHLORO-3''-METHYLBUTYL)-2',4,4'-TRIHYDROXYCHALCONE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21ClO4
InChI InChI=1S/C20H21ClO4/c1-20(2,21)12-11-16-18(24)10-8-15(19(16)25)17(23)9-5-13-3-6-14(22)7-4-13/h3-10,22,24-25H,11-12H2,1-2H3/b9-5+
InChIKey UJDJWQKWCWQLJY-WEVVVXLNSA-N
Literature Reference Author J.P.GREALIS,H.MUELLER-BUNZ,Y.ORTIN,M.CASEY,M.J.MCGLINCHEY
Literature Reference Citation EUR.J.ORG.CHEM.,2013,332(2013)
Literature Reference DOI 10.1002/ejoc.201201063
Molecular Weight 360.837 g/mol
Solvent CDCl3
Source File Reference UWBT17369