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3-Methyl-1-(piperidin-1-yl)-4-tosylbenzo[e][1,2]thiazine 1-oxide
SpectraBase Compound ID G1S9G12RJ6B
InChI InChI=1S/C21H24N2O3S2/c1-16-10-12-18(13-11-16)27(24,25)21-17(2)22-28(26,23-14-6-3-7-15-23)20-9-5-4-8-19(20)21/h4-5,8-13H,3,6-7,14-15H2,1-2H3
InChIKey CMOBZVJKIGMFFL-UHFFFAOYSA-N
Mol Weight 416.55 g/mol
Molecular Formula C21H24N2O3S2
Exact Mass 416.122835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ij1AFMzYoJv
Name 3-Methyl-1-(piperidin-1-yl)-4-tosylbenzo[e][1,2]thiazine 1-oxide
Appearance Light yellow solid
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Formula C21H24N2O3S2
InChI InChI=1S/C21H24N2O3S2/c1-16-10-12-18(13-11-16)27(24,25)21-17(2)22-28(26,23-14-6-3-7-15-23)20-9-5-4-8-19(20)21/h4-5,8-13H,3,6-7,14-15H2,1-2H3
InChIKey CMOBZVJKIGMFFL-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001505
Molecular Weight 416.554 g/mol
Reported Formula C21H24N2O3S2
SMILES C1N(s2(=O)nc(C)c(S(c3ccc(cc3)C)(=O)=O)c3c2cccc3)CCCC1
SPLASH splash10-014i-0200900000-e7d83f37fd8b2912fd2b
Source of Spectrum ASC-363-SM16-11ae
Wiley ID 1856427