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1-(3-Chloro-2-methylphenyl)-4-[(5-fluoro-2-methoxyphenyl)sulfonyl]piperazine
SpectraBase Compound ID Axxodtb7OBV
InChI InChI=1S/C18H20ClFN2O3S/c1-13-15(19)4-3-5-16(13)21-8-10-22(11-9-21)26(23,24)18-12-14(20)6-7-17(18)25-2/h3-7,12H,8-11H2,1-2H3
InChIKey ORFOQVPCTBOOJL-UHFFFAOYSA-N
Mol Weight 398.88 g/mol
Molecular Formula C18H20ClFN2O3S
Exact Mass 398.08672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uV4JDpmKEg
Name 1-(3-Chloro-2-methylphenyl)-4-[(5-fluoro-2-methoxyphenyl)sulfonyl]piperazine
Alternate Name(s) 1-(3-Chloranyl-2-methyl-phenyl)-4-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperazine 2-{[4-(3-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl}-4-fluorophenyl methyl ether Piperazine, 1-(3-chloro-2-methylphenyl)-4-(5-fluoro-2-methoxybenzenesulfonyl)- 1-(3-Chloro-2-methylphenyl)-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20ClFN2O3S
InChI InChI=1S/C18H20ClFN2O3S/c1-13-15(19)4-3-5-16(13)21-8-10-22(11-9-21)26(23,24)18-12-14(20)6-7-17(18)25-2/h3-7,12H,8-11H2,1-2H3
InChIKey ORFOQVPCTBOOJL-UHFFFAOYSA-N
Molecular Weight 398.880 g/mol
SMILES COc1c(S(N2CCN(c3c(c(Cl)ccc3)C)CC2)(=O)=O)cc(F)cc1
SPLASH splash10-0a4i-9440000000-6bab1c923d2b4eccf16e
Wiley ID 1447033