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6'-Debromo-(cis)-3,4-dihydro-hamacanthin B
SpectraBase Compound ID AumRwrTa1df
InChI InChI=1S/C20H17BrN4O/c21-12-5-6-13-14(9-22-16(13)8-12)19-20(26)23-10-18(25-19)17-7-11-3-1-2-4-15(11)24-17/h1-9,18-19,22,24-25H,10H2,(H,23,26)
InChIKey IGGCXZDLFMQUTA-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 Bp8CnawpAGB
Name 6'-Debromo-(cis)-3,4-dihydro-hamacanthin B
Alternate Name(s) 3-[6'-Bromoindol-3'-yl]-5-[indol-3''-yl)carbonyl]-(hexahydro)-1,4-pyrazine
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Formula C20H17BrN4O
InChI InChI=1S/C20H17BrN4O/c21-12-5-6-13-14(9-22-16(13)8-12)19-20(26)23-10-18(25-19)17-7-11-3-1-2-4-15(11)24-17/h1-9,18-19,22,24-25H,10H2,(H,23,26)
InChIKey IGGCXZDLFMQUTA-UHFFFAOYSA-N
Molecular Weight 409.287 g/mol
SMILES N1C(c2[nH]c3ccccc3c2)CNC(C1c1c[nH]c2c1ccc(c2)Br)=O
SPLASH splash10-015d-0942000000-98530717c567b0124d84
Source of Spectrum G4-63-450-9
Wiley ID 1608326