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1-(1,3-Benzodioxol-5-ylmethyl)-4-[(3-ethoxy-4-fluorophenyl)sulfonyl]piperazine
SpectraBase Compound ID 1G4lCL5uf3p
InChI InChI=1S/C20H23FN2O5S/c1-2-26-19-12-16(4-5-17(19)21)29(24,25)23-9-7-22(8-10-23)13-15-3-6-18-20(11-15)28-14-27-18/h3-6,11-12H,2,7-10,13-14H2,1H3
InChIKey QUHBQEHKXQHGTA-UHFFFAOYSA-N
Mol Weight 422.47 g/mol
Molecular Formula C20H23FN2O5S
Exact Mass 422.131171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cca3CzPBda5
Name 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(3-ethoxy-4-fluorophenyl)sulfonyl]piperazine
Alternate Name(s) 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-fluoranyl-phenyl)sulfonyl-piperazine 1-(3-Ethoxy-4-fluoro-phenyl)sulfonyl-4-piperonyl-piperazine 5-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-2-fluorophenyl ethyl ether 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-fluorophenyl)sulfonylpiperazine
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Formula C20H23FN2O5S
InChI InChI=1S/C20H23FN2O5S/c1-2-26-19-12-16(4-5-17(19)21)29(24,25)23-9-7-22(8-10-23)13-15-3-6-18-20(11-15)28-14-27-18/h3-6,11-12H,2,7-10,13-14H2,1H3
InChIKey QUHBQEHKXQHGTA-UHFFFAOYSA-N
Molecular Weight 422.471 g/mol
SMILES CCOc1c(ccc(c1)S(=O)(=O)N1CCN(CC1)Cc1cc2OCOc2cc1)F
SPLASH splash10-000i-5930000000-1c38ba9e2b397d540bcd
Wiley ID 1512204