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3-Amino-5,8-dihydroxy-2-methoxy-1,4-naphthoquinone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Amino-5,8-dihydroxy-2-methoxy-1,4-naphthoquinone
SpectraBase Compound ID D8NugEYRRRe
InChI InChI=1S/C11H9NO5/c1-17-11-8(12)9(15)6-4(13)2-3-5(14)7(6)10(11)16/h2-3,13-14H,12H2,1H3
InChIKey PGXXNKACUZTBMN-UHFFFAOYSA-N
Mol Weight 235.19 g/mol
Molecular Formula C11H9NO5
Exact Mass 235.048072 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B6Qtu36mO24
Name 3-Amino-5,8-dihydroxy-2-methoxy-1,4-naphthoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.048072389 u
Formula C11H9NO5
InChI InChI=1S/C11H9NO5/c1-17-11-8(12)9(15)6-4(13)2-3-5(14)7(6)10(11)16/h2-3,13-14H,12H2,1H3
InChIKey PGXXNKACUZTBMN-UHFFFAOYSA-N
Molecular Weight 235.195 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C(=CC=C2O)O)OC)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936737