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3-[4-(3-chloro-phenyl)-piperazine-1-carbonyl]-8-methoxy-chromen-2-one
SpectraBase Compound ID 1rJ8pLLobW5
InChI InChI=1S/C21H19ClN2O4/c1-27-18-7-2-4-14-12-17(21(26)28-19(14)18)20(25)24-10-8-23(9-11-24)16-6-3-5-15(22)13-16/h2-7,12-13H,8-11H2,1H3
InChIKey JHIKPZDVYXCLQX-UHFFFAOYSA-N
Mol Weight 398.85 g/mol
Molecular Formula C21H19ClN2O4
Exact Mass 398.103335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnYYCXGzFuC
Name 3-[4-(3-chloro-phenyl)-piperazine-1-carbonyl]-8-methoxy-chromen-2-one
Alternate Name(s) 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-coumarin 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClN2O4
InChI InChI=1S/C21H19ClN2O4/c1-27-18-7-2-4-14-12-17(21(26)28-19(14)18)20(25)24-10-8-23(9-11-24)16-6-3-5-15(22)13-16/h2-7,12-13H,8-11H2,1H3
InChIKey JHIKPZDVYXCLQX-UHFFFAOYSA-N
Molecular Weight 398.846 g/mol
SMILES C=1(C(Oc2c(C1)cccc2OC)=O)C(N1CCN(CC1)c1cc(Cl)ccc1)=O
SPLASH splash10-0aor-7910000000-d45631cea8a2dbda24cf
Wiley ID 1442877