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1-(4-Chloro-3-methoxy-benzenesulfonyl)-azepane
SpectraBase Compound ID G8qFMab0oMm
InChI InChI=1S/C13H18ClNO3S/c1-18-13-10-11(6-7-12(13)14)19(16,17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
InChIKey VFGFTDOTXGPWKW-UHFFFAOYSA-N
Mol Weight 303.8 g/mol
Molecular Formula C13H18ClNO3S
Exact Mass 303.069592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84dBl4YqW14
Name 1-(4-Chloro-3-methoxy-benzenesulfonyl)-azepane
Alternate Name(s) 1-(4-Chloranyl-3-methoxy-phenyl)sulfonylazepane 1-(4-Chloro-3-methoxy-phenyl)sulfonylazepane 5-(1-Azepanylsulfonyl)-2-chlorophenyl methyl ether
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Formula C13H18ClNO3S
InChI InChI=1S/C13H18ClNO3S/c1-18-13-10-11(6-7-12(13)14)19(16,17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
InChIKey VFGFTDOTXGPWKW-UHFFFAOYSA-N
Molecular Weight 303.804 g/mol
SMILES C1CCN(S(c2cc(OC)c(cc2)Cl)(=O)=O)CCC1
SPLASH splash10-0005-9311000000-50e46323084908a47910
Wiley ID 1464993