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BrOMODEOXYTOPSENTIN
SpectraBase Compound ID 2bH0c944XK3
InChI InChI=1S/C20H13BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-20(25-18)19(26)15-9-22-16-4-2-1-3-12(15)16/h1-10,22-23H,(H,24,25)
InChIKey RMAWSNVDVKZXDX-UHFFFAOYSA-N
Mol Weight 405.26 g/mol
Molecular Formula C20H13BrN4O
Exact Mass 404.027274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvkcI6gDIVY
Name 6"-Deoxy-Bromotopsentin
Alternate Name(s) [5-(6-bromanyl-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone 5-(6'-Bromoindol-3'-yl)-3-[indol-3''-yl)carbonyl]-1,3-diazole
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Formula C20H13BrN4O
InChI InChI=1S/C20H13BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-20(25-18)19(26)15-9-22-16-4-2-1-3-12(15)16/h1-10,22-23H,(H,24,25)
InChIKey RMAWSNVDVKZXDX-UHFFFAOYSA-N
Molecular Weight 405.255 g/mol
SMILES [nH]1c2c(c(-c3nc(C(c4c[nH]c5c4cccc5)=O)[nH]c3)c1)ccc(c2)Br
SPLASH splash10-0pvu-0960800000-7af6f10828832a4ac541
Source of Spectrum G4-63-450-6
Wiley ID 1608329