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6-(4-Bromo-phenyl)-4-furan-2-yl-2-(2-hydroxy-ethylamino)-cyclohexa-1,3-dienecarboxylic acid ethyl ester
SpectraBase Compound ID JN4wDFtsAyN
InChI InChI=1S/C21H22BrNO4/c1-2-26-21(25)20-17(14-5-7-16(22)8-6-14)12-15(19-4-3-11-27-19)13-18(20)23-9-10-24/h3-8,11,13,17,23-24H,2,9-10,12H2,1H3
InChIKey IVPXZNMJISDUJV-UHFFFAOYSA-N
Mol Weight 432.31 g/mol
Molecular Formula C21H22BrNO4
Exact Mass 431.073221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2B8HpiwdSgF
Name 6-(4-Bromo-phenyl)-4-furan-2-yl-2-(2-hydroxy-ethylamino)-cyclohexa-1,3-dienecarboxylic acid ethyl ester
Alternate Name(s) Ethyl 6-(4-bromophenyl)-4-(2-furyl)-2-[(2-hydroxyethyl)amino]-1,3-cyclohexadiene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrNO4
InChI InChI=1S/C21H22BrNO4/c1-2-26-21(25)20-17(14-5-7-16(22)8-6-14)12-15(19-4-3-11-27-19)13-18(20)23-9-10-24/h3-8,11,13,17,23-24H,2,9-10,12H2,1H3
InChIKey IVPXZNMJISDUJV-UHFFFAOYSA-N
Molecular Weight 432.314 g/mol
SMILES N(C1=C(C(CC(c2occc2)=C1)c1ccc(cc1)Br)C(=O)OCC)CCO
SPLASH splash10-003r-4923100000-4b927ca36cd6763ce39d
Wiley ID 1464486