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N-(4-Methoxy-2-methylphenyl)-2-acetoxy-3-amino-1,4-naphthoquinone
SpectraBase Compound ID 4LykXQkiqH5
InChI InChI=1S/C20H17NO5/c1-11-10-13(25-3)8-9-16(11)21-17-18(23)14-6-4-5-7-15(14)19(24)20(17)26-12(2)22/h4-10,21H,1-3H3
InChIKey LJPXNJZPZGHPQF-UHFFFAOYSA-N
Mol Weight 351.36 g/mol
Molecular Formula C20H17NO5
Exact Mass 351.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uFT6L4he3T
Name N-(4-Methoxy-2-methylphenyl)-2-acetoxy-3-amino-1,4-naphthoquinone
Alternate Name(s) 3-(4-Methoxy-2-methylanilino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO5
InChI InChI=1S/C20H17NO5/c1-11-10-13(25-3)8-9-16(11)21-17-18(23)14-6-4-5-7-15(14)19(24)20(17)26-12(2)22/h4-10,21H,1-3H3
InChIKey LJPXNJZPZGHPQF-UHFFFAOYSA-N
Molecular Weight 351.358 g/mol
SMILES N(C1=C(C(c2c(C1=O)cccc2)=O)OC(=O)C)c1c(cc(cc1)OC)C
SPLASH splash10-0a4i-0019000000-035aafbe7fe38e5c1be9
Source of Spectrum F-50-10901-9
Wiley ID 789346