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6'-Debromo-(cis)-3,4-dihydro-hamacanthin B
SpectraBase Compound ID 7I5303nSDvB
InChI InChI=1S/C20H17BrN4O/c21-12-6-5-11-7-17(24-16(11)8-12)18-10-23-20(26)19(25-18)14-9-22-15-4-2-1-3-13(14)15/h1-9,18-19,22,24-25H,10H2,(H,23,26)
InChIKey WXMJHEONGDCCRL-UHFFFAOYSA-N
Mol Weight 409.29 g/mol
Molecular Formula C20H17BrN4O
Exact Mass 408.058574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHHESiSxMr3
Name 6'-Debromo-(cis)-3,4-dihydro-hamacanthin B
Alternate Name(s) 5-(6'-Bromoindol-3'-yl)-3-[indol-3''-yl)carbonyl]-(hexahydro)-1,4-pyrazine
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Formula C20H17BrN4O
InChI InChI=1S/C20H17BrN4O/c21-12-6-5-11-7-17(24-16(11)8-12)18-10-23-20(26)19(25-18)14-9-22-15-4-2-1-3-13(14)15/h1-9,18-19,22,24-25H,10H2,(H,23,26)
InChIKey WXMJHEONGDCCRL-UHFFFAOYSA-N
Molecular Weight 409.287 g/mol
SMILES N1C(c2[nH]c3cc(ccc3c2)Br)CNC(C1c1c[nH]c2c1cccc2)=O
SPLASH splash10-015d-0942000000-655b6d0b092e18b62406
Source of Spectrum G4-63-450-8
Wiley ID 1608327