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6,8-bis(chloranyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one
SpectraBase Compound ID 69B122a2zxB
InChI InChI=1S/C22H20Cl2N2O3/c1-13-3-4-14(2)19(9-13)25-5-7-26(8-6-25)21(27)17-11-15-10-16(23)12-18(24)20(15)29-22(17)28/h3-4,9-12H,5-8H2,1-2H3
InChIKey GWTLPZXEPCXVJN-UHFFFAOYSA-N
Mol Weight 431.32 g/mol
Molecular Formula C22H20Cl2N2O3
Exact Mass 430.085098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qLuPdu6xbM
Name 6,8-bis(chloranyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20Cl2N2O3
InChI InChI=1S/C22H20Cl2N2O3/c1-13-3-4-14(2)19(9-13)25-5-7-26(8-6-25)21(27)17-11-15-10-16(23)12-18(24)20(15)29-22(17)28/h3-4,9-12H,5-8H2,1-2H3
InChIKey GWTLPZXEPCXVJN-UHFFFAOYSA-N
Molecular Weight 431.319 g/mol
SMILES C=1(C(Oc2c(C1)cc(cc2Cl)Cl)=O)C(N1CCN(CC1)c1c(ccc(c1)C)C)=O
SPLASH splash10-03di-0910000000-bf7f8964b2918392dfc1
Synonyms 6,8-Dichloro-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]coumarin 6,8-Dichloro-3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one
Wiley ID 1443522