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2-ETHOXYCARBONYL-3-(2-METHYL-1-BUTEN-3-YL)-4-BROMO-5-PHENYL-4-PENTENOIC ACID, ETHYL ESTER (ISOMER MIXTURE)
SpectraBase Compound ID 10qyZ9peLoM
InChI InChI=1S/C21H27BrO4/c1-6-25-20(23)19(21(24)26-7-2)18(15(5)14(3)4)17(22)13-16-11-9-8-10-12-16/h8-13,15,18-19H,3,6-7H2,1-2,4-5H3/b17-13-
InChIKey HAHQRTKJEGPCMU-LGMDPLHJSA-N
Mol Weight 423.35 g/mol
Molecular Formula C21H27BrO4
Exact Mass 422.109272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 932UORZzwvr
Name 2-ETHOXYCARBONYL-3-(2-METHYL-1-BUTEN-3-YL)-4-BROMO-5-PHENYL-4-PENTENOIC ACID, ETHYL ESTER (ISOMER MIXTURE)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H27BrO4
InChI InChI=1S/C21H27BrO4/c1-6-25-20(23)19(21(24)26-7-2)18(15(5)14(3)4)17(22)13-16-11-9-8-10-12-16/h8-13,15,18-19H,3,6-7H2,1-2,4-5H3/b17-13-
InChIKey HAHQRTKJEGPCMU-LGMDPLHJSA-N
Instrument Name Jeol FX-90
Literature Reference A.N.KASATKIN, O.YU.TSYPYSHEV, T.YU.ROMANOVA, G.A.TOLSTIKOV (1991) Izv.Akad.NaukSSSR(Russ. Lang.): N3, 656-663.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d