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5-((4-bromophenyl)sulfonyl)-5,6,6a,7,8,9-hexahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazine
SpectraBase Compound ID 6lSG9pmbiXh
InChI InChI=1S/C16H16BrN3O2S/c17-12-5-7-14(8-6-12)23(21,22)20-11-13-3-2-10-19(13)16-15(20)4-1-9-18-16/h1,4-9,13H,2-3,10-11H2
InChIKey INJMHFIOBKQUMZ-UHFFFAOYSA-N
Mol Weight 394.29 g/mol
Molecular Formula C16H16BrN3O2S
Exact Mass 393.014661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyReFX7akPR
Name 5-((4-bromophenyl)sulfonyl)-5,6,6a,7,8,9-hexahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazine
Appearance amorphous solid
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Formula C16H16BrN3O2S
InChI InChI=1S/C16H16BrN3O2S/c17-12-5-7-14(8-6-12)23(21,22)20-11-13-3-2-10-19(13)16-15(20)4-1-9-18-16/h1,4-9,13H,2-3,10-11H2
InChIKey INJMHFIOBKQUMZ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4270
Molecular Weight 394.287 g/mol
SMILES C1N(S(c2ccc(cc2)Br)(=O)=O)c2c(N3C1CCC3)nccc2
SPLASH splash10-00b9-9600000000-d1078c282ae5ee0d6046
Source of Spectrum Y-58-SM27-3c
Wiley ID 1880950