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4-(2,5-dichloro-4-methoxy-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester
SpectraBase Compound ID LRa4Nu0nZ9h
InChI InChI=1S/C14H18Cl2N2O5S/c1-3-23-14(19)17-4-6-18(7-5-17)24(20,21)13-9-10(15)12(22-2)8-11(13)16/h8-9H,3-7H2,1-2H3
InChIKey KZGMERQNBPTGCK-UHFFFAOYSA-N
Mol Weight 397.27 g/mol
Molecular Formula C14H18Cl2N2O5S
Exact Mass 396.031348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ph5Hsa8hC5
Name 4-(2,5-dichloro-4-methoxy-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester
Alternate Name(s) 4-(2,5-dichloro-4-methoxyphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester Ethyl 4-(2,5-dichloro-4-methoxy-phenyl)sulfonylpiperazine-1-carboxylate Ethyl 4-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonylpiperazine-1-carboxylate Piperazine-1-carboxylic acid, 4-(2,5-dichloro-4-methoxybenzenesulfonyl)-, ethyl ester
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Formula C14H18Cl2N2O5S
InChI InChI=1S/C14H18Cl2N2O5S/c1-3-23-14(19)17-4-6-18(7-5-17)24(20,21)13-9-10(15)12(22-2)8-11(13)16/h8-9H,3-7H2,1-2H3
InChIKey KZGMERQNBPTGCK-UHFFFAOYSA-N
Molecular Weight 397.273 g/mol
SMILES C1CN(C(=O)OCC)CCN1S(c1cc(c(cc1Cl)OC)Cl)(=O)=O
SPLASH splash10-0a4i-9700000000-c3312b7d79d2d549e398
Wiley ID 1441519