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3-(4-Bromophenyl)-8-methyl-1-(piperidin-1-yl)benzo[e][1,2]thiazine 1-oxide
SpectraBase Compound ID 9tjYzySD8it
InChI InChI=1S/C20H21BrN2OS/c1-15-6-5-7-17-14-19(16-8-10-18(21)11-9-16)22-25(24,20(15)17)23-12-3-2-4-13-23/h5-11,14H,2-4,12-13H2,1H3
InChIKey MUCWTPSKLYLTNT-UHFFFAOYSA-N
Mol Weight 417.37 g/mol
Molecular Formula C20H21BrN2OS
Exact Mass 416.055797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMPxCpVTPr6
Name 3-(4-Bromophenyl)-8-methyl-1-(piperidin-1-yl)benzo[e][1,2]thiazine 1-oxide
Appearance Yellow solid
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Formula C20H21BrN2OS
InChI InChI=1S/C20H21BrN2OS/c1-15-6-5-7-17-14-19(16-8-10-18(21)11-9-16)22-25(24,20(15)17)23-12-3-2-4-13-23/h5-11,14H,2-4,12-13H2,1H3
InChIKey MUCWTPSKLYLTNT-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001505
Molecular Weight 417.365 g/mol
Reported Formula C20H21N2BrOS
SMILES C1N(s2(=O)nc(-c3ccc(Br)cc3)cc3c2c(ccc3)C)CCCC1
SPLASH splash10-014i-0021900000-60b569d3ef2ab9b5fc8b
Source of Spectrum ASC-363-SM9-6gb
Wiley ID 1856440