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1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine
SpectraBase Compound ID BtU3FbUICwU
InChI InChI=1S/C18H18ClN3O3/c1-13-5-6-15(12-17(13)19)20-7-9-21(10-8-20)18(23)14-3-2-4-16(11-14)22(24)25/h2-6,11-12H,7-10H2,1H3
InChIKey VAOZHCDIHHFIGB-UHFFFAOYSA-N
Mol Weight 359.81 g/mol
Molecular Formula C18H18ClN3O3
Exact Mass 359.103669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3NKYrMVgCe
Name 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine
Alternate Name(s) [4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-(3-nitrophenyl)methanone [4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-(3-nitrophenyl)methanone [4-(3-chloro-4-methyl-phenyl)piperazino]-(3-nitrophenyl)methanone [4-(3-chloro-4-methylphenyl)-1-piperazinyl]-(3-nitrophenyl)methanone
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Formula C18H18ClN3O3
InChI InChI=1S/C18H18ClN3O3/c1-13-5-6-15(12-17(13)19)20-7-9-21(10-8-20)18(23)14-3-2-4-16(11-14)22(24)25/h2-6,11-12H,7-10H2,1H3
InChIKey VAOZHCDIHHFIGB-UHFFFAOYSA-N
Molecular Weight 359.813 g/mol
SMILES Cc1ccc(N2CCN(C(c3cc(N(=O)=O)ccc3)=O)CC2)cc1Cl
SPLASH splash10-001i-3900000000-dc2a3c9d2a19b9043136
Wiley ID 1441762