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Hydroxytopsentin
SpectraBase Compound ID E5hq384RUMC
InChI InChI=1S/C20H14N4O3/c25-10-1-3-12-14(7-21-16(12)5-10)18-9-23-20(24-18)19(27)15-8-22-17-6-11(26)2-4-13(15)17/h1-9,21-22,25-26H,(H,23,24)
InChIKey YURKKNUIPHQQOM-UHFFFAOYSA-N
Mol Weight 358.36 g/mol
Molecular Formula C20H14N4O3
Exact Mass 358.10659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKEOIMeaBIK
Name Hydroxytopsentin
Alternate Name(s) (6-hydroxy-1H-indol-3-yl)[5-(6-hydroxy-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
CAS Registry Number 116725-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N4O3
InChI InChI=1S/C20H14N4O3/c25-10-1-3-12-14(7-21-16(12)5-10)18-9-23-20(24-18)19(27)15-8-22-17-6-11(26)2-4-13(15)17/h1-9,21-22,25-26H,(H,23,24)
InChIKey YURKKNUIPHQQOM-UHFFFAOYSA-N
Molecular Weight 358.357 g/mol
SMILES [nH]1c(C(c2c3ccc(cc3[nH]c2)O)=O)ncc1-c1c[nH]c2c1ccc(c2)O
SPLASH splash10-03e9-0900000000-d76f38af8d6f0f20d9c8
Source of Spectrum J-53-5452-5
Wiley ID 1347018