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2-Fluoro-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
SpectraBase Compound ID 32FpU9IsPPD
InChI InChI=1S/C18H21FN2O4S2/c1-2-12-26(22,23)21-11-5-6-14-9-10-15(13-17(14)21)20-27(24,25)18-8-4-3-7-16(18)19/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3
InChIKey PLGGYCCUQMZGLQ-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C18H21FN2O4S2
Exact Mass 412.092678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wBShfBCANe
Name 2-Fluoro-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
Appearance Red solid
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Formula C18H21FN2O4S2
InChI InChI=1S/C18H21FN2O4S2/c1-2-12-26(22,23)21-11-5-6-14-9-10-15(13-17(14)21)20-27(24,25)18-8-4-3-7-16(18)19/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3
InChIKey PLGGYCCUQMZGLQ-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1021/ml400487t
Molecular Weight 412.494 g/mol
Reported Formula C18H21FN2O4S2
SMILES N(c1cc2c(CCCN2S(CCC)(=O)=O)cc1)S(c1ccccc1F)(=O)=O
SPLASH splash10-00kb-0902200000-1bca2b61d4340b0129c4
Source of Spectrum MCS-5-SM15-25
Wiley ID 1864148