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1-(4-Bromo-2,5-dimethoxy-benzenesulfonyl)-azepane
SpectraBase Compound ID 87EOkOk04cF
InChI InChI=1S/C14H20BrNO4S/c1-19-12-10-14(13(20-2)9-11(12)15)21(17,18)16-7-5-3-4-6-8-16/h9-10H,3-8H2,1-2H3
InChIKey OBMPTPFILZPOKI-UHFFFAOYSA-N
Mol Weight 378.28 g/mol
Molecular Formula C14H20BrNO4S
Exact Mass 377.029642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUUHbGXS3Q4
Name 1-(4-Bromo-2,5-dimethoxy-benzenesulfonyl)-azepane
Alternate Name(s) 1-(4-bromanyl-2,5-dimethoxy-phenyl)sulfonylazepane 1-(4-bromo-2,5-dimethoxy-phenyl)sulfonylazepane
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Formula C14H20BrNO4S
InChI InChI=1S/C14H20BrNO4S/c1-19-12-10-14(13(20-2)9-11(12)15)21(17,18)16-7-5-3-4-6-8-16/h9-10H,3-8H2,1-2H3
InChIKey OBMPTPFILZPOKI-UHFFFAOYSA-N
Molecular Weight 378.281 g/mol
SMILES C1CCN(S(c2cc(OC)c(cc2OC)Br)(=O)=O)CCC1
SPLASH splash10-0002-9641000000-fe631c3b198077802c69
Wiley ID 1464990