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4-Amino-2-cyano-1-ethylaminoanthraquinone

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

4-Amino-2-cyano-1-ethylaminoanthraquinone
SpectraBase Compound ID JsJ2ensnDNI
InChI InChI=1S/C17H13N3O2/c1-2-20-15-9(8-18)7-12(19)13-14(15)17(22)11-6-4-3-5-10(11)16(13)21/h3-7,20H,2,19H2,1H3
InChIKey SWIDXCPOBPEESB-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C17H13N3O2
Exact Mass 291.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Lt5ONQXUvO
Name 4-Amino-2-cyano-1-ethylaminoanthraquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.100776669 u
Formula C17H13N3O2
InChI InChI=1S/C17H13N3O2/c1-2-20-15-9(8-18)7-12(19)13-14(15)17(22)11-6-4-3-5-10(11)16(13)21/h3-7,20H,2,19H2,1H3
InChIKey SWIDXCPOBPEESB-UHFFFAOYSA-N
SMILES C=12C(C(=O)C3=C(C2=O)C=CC=C3)=C(NCC)C(=CC1N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940954