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SPONGOTINE_A

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SPONGOTINE_A
SpectraBase Compound ID HNSPufcbgVV
InChI InChI=1S/C20H15BrN4O/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/h1-9,18,22-23H,10H2,(H,24,25)
InChIKey BYNAFSYAUGRDSZ-UHFFFAOYSA-N
Mol Weight 407.27 g/mol
Molecular Formula C20H15BrN4O
Exact Mass 406.042924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3G7BNCkPrM
Name 4,5-Dihydro-6''-deoxybromotopsentin
Alternate Name(s) 4,5-Dihydro-6''-deoxybromotopsentin [5-(6-bromo-1H-indol-3-yl)-4H-imidazol-2-yl](1H-indol-3-yl)methanone
CAS Registry Number 116747-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15BrN4O
InChI InChI=1S/C20H15BrN4O/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/h1-9,18,22-23H,10H2,(H,24,25)
InChIKey BYNAFSYAUGRDSZ-UHFFFAOYSA-N
Molecular Weight 407.271 g/mol
SMILES N1C(c2c[nH]c3c2ccc(c3)Br)CN=C1C(c1c[nH]c2c1cccc2)=O
SPLASH splash10-0pb9-0323900000-beaa0d97999202e3b155
Source of Spectrum J-53-5451-3
Wiley ID 1371144