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6-Bromanyl-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one
SpectraBase Compound ID 2EJkrxo9DW6
InChI InChI=1S/C22H21BrN2O3/c1-14-3-5-18(11-15(14)2)24-7-9-25(10-8-24)21(26)19-13-16-12-17(23)4-6-20(16)28-22(19)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey RTVTYMFHJNJXBE-UHFFFAOYSA-N
Mol Weight 441.33 g/mol
Molecular Formula C22H21BrN2O3
Exact Mass 440.073556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbsHuhT2Kzb
Name 6-Bromanyl-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21BrN2O3
InChI InChI=1S/C22H21BrN2O3/c1-14-3-5-18(11-15(14)2)24-7-9-25(10-8-24)21(26)19-13-16-12-17(23)4-6-20(16)28-22(19)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey RTVTYMFHJNJXBE-UHFFFAOYSA-N
Molecular Weight 441.325 g/mol
SMILES Cc1c(cc(N2CCN(C(C=3C(Oc4c(C3)cc(cc4)Br)=O)=O)CC2)cc1)C
SPLASH splash10-03di-4900000000-41c9210f5eede190b1dc
Synonyms 6-Bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]coumarin 6-Bromo-3-[[4-(3,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one
Wiley ID 1443389