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3-Ethoxy-4-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]cyclobut-3-ene-1,2-dione
SpectraBase Compound ID A0gFZ9tOGxf
InChI InChI=1S/C16H16N2O4/c1-2-22-16-13(14(20)15(16)21)17-6-5-9-8-18-12-4-3-10(19)7-11(9)12/h3-4,7-8,17-19H,2,5-6H2,1H3
InChIKey WSNYXNDIXWKTIU-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C16H16N2O4
Exact Mass 300.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gcabsulb9LN
Name 3-Ethoxy-4-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]cyclobut-3-ene-1,2-dione
CAS Registry Number 131589-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O4
InChI InChI=1S/C16H16N2O4/c1-2-22-16-13(14(20)15(16)21)17-6-5-9-8-18-12-4-3-10(19)7-11(9)12/h3-4,7-8,17-19H,2,5-6H2,1H3
InChIKey WSNYXNDIXWKTIU-UHFFFAOYSA-N
Molecular Weight 300.314 g/mol
SMILES N(C1=C(OCC)C(C1=O)=O)CCc1c[nH]c2c1cc(cc2)O
SPLASH splash10-0002-3903000000-3da603a345b29255dae9
Source of Spectrum K-124-1219-3
Synonyms 3-Ethoxy-4-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]cyclobut-3-ene-1,2-quinone 3-Ethoxy-4-[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]cyclobut-3-ene-1,2-dione
Wiley ID 1302770