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(3-bromophenyl)(6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)methanone
SpectraBase Compound ID H7jN3DM1ExZ
InChI InChI=1S/C17H16BrN3O/c18-13-5-1-4-12(10-13)17(22)21-11-14-6-3-9-20(14)16-15(21)7-2-8-19-16/h1-2,4-5,7-8,10,14H,3,6,9,11H2
InChIKey KLWQNWQJWWOWPN-UHFFFAOYSA-N
Mol Weight 358.24 g/mol
Molecular Formula C17H16BrN3O
Exact Mass 357.047675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cUfSHH4MVW
Name (3-bromophenyl)(6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)methanone
Appearance crystalline solid
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Formula C17H16BrN3O
InChI InChI=1S/C17H16BrN3O/c18-13-5-1-4-12(10-13)17(22)21-11-14-6-3-9-20(14)16-15(21)7-2-8-19-16/h1-2,4-5,7-8,10,14H,3,6,9,11H2
InChIKey KLWQNWQJWWOWPN-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4270
Molecular Weight 358.239 g/mol
SMILES C(=O)(N1CC2N(c3c1cccn3)CCC2)c1cc(ccc1)Br
SPLASH splash10-05fr-2903000000-61dc5e92c665f77db45a
Source of Spectrum Y-58-SM26-2h
Wiley ID 1880947