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3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one
SpectraBase Compound ID CfqI9ZhXHXn
InChI InChI=1S/C21H18ClN3O5/c1-13-2-3-15(12-18(13)22)23-6-8-24(9-7-23)20(26)17-11-14-10-16(25(28)29)4-5-19(14)30-21(17)27/h2-5,10-12H,6-9H2,1H3
InChIKey DYPIFIQNMWLGSI-UHFFFAOYSA-N
Mol Weight 427.84 g/mol
Molecular Formula C21H18ClN3O5
Exact Mass 427.093498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJV1ZPJuCK2
Name 3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClN3O5
InChI InChI=1S/C21H18ClN3O5/c1-13-2-3-15(12-18(13)22)23-6-8-24(9-7-23)20(26)17-11-14-10-16(25(28)29)4-5-19(14)30-21(17)27/h2-5,10-12H,6-9H2,1H3
InChIKey DYPIFIQNMWLGSI-UHFFFAOYSA-N
Molecular Weight 427.844 g/mol
SMILES C=1(C(Oc2c(C1)cc(N(=O)=O)cc2)=O)C(N1CCN(CC1)c1cc(Cl)c(cc1)C)=O
SPLASH splash10-0a59-9810000000-819841d8620f9118afde
Synonyms 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-6-nitro-coumarin 3-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-oxomethyl]-6-nitro-1-benzopyran-2-one 3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-6-nitrochromen-2-one
Wiley ID 1442874