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Neohydroxytopsentin
SpectraBase Compound ID 7qcTv1AemDt
InChI InChI=1S/C20H14N4O3/c25-10-1-3-16-12(5-10)14(7-21-16)18-9-23-20(24-18)19(27)15-8-22-17-4-2-11(26)6-13(15)17/h1-9,21-22,25-26H,(H,23,24)
InChIKey XHMFFEMVQURDBA-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 5r2WmbJ6RKy
Name Neohydroxytopsentin
CAS Registry Number 116747-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N4O3
InChI InChI=1S/C20H14N4O3/c25-10-1-3-16-12(5-10)14(7-21-16)18-9-23-20(24-18)19(27)15-8-22-17-4-2-11(26)6-13(15)17/h1-9,21-22,25-26H,(H,23,24)
InChIKey XHMFFEMVQURDBA-UHFFFAOYSA-N
Molecular Weight 358.357 g/mol
SMILES [nH]1c(C(c2c[nH]c3c2cc(cc3)O)=O)ncc1-c1c2c(ccc(c2)O)[nH]c1
SPLASH splash10-053r-0914000000-48383e93b201d188b905
Source of Spectrum J-53-5452-9
Synonyms (5-hydroxy-1H-indol-3-yl)[5-(5-hydroxy-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
Wiley ID 1347019