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4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 10-(2,6-dimethylphenyl)-

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

4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 10-(2,6-dimethylphenyl)-
SpectraBase Compound ID 1bwyOnOINxV
InChI InChI=1S/C20H17NO2/c1-14-8-7-9-15(2)16(14)21-17(22)19-10-3-4-11-20(19,18(21)23)13-6-5-12-19/h3-13H,1-2H3
InChIKey FNCDHQCMDOLKBJ-UHFFFAOYSA-N
Mol Weight 303.36 g/mol
Molecular Formula C20H17NO2
Exact Mass 303.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3XYPLvPF4P4
Name 4A,8A-(Methaniminomethano)naphthalene-9,11-dione, 10-(2,6-dimethylphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.125928789 u
Formula C20H17NO2
InChI InChI=1S/C20H17NO2/c1-14-8-7-9-15(2)16(14)21-17(22)19-10-3-4-11-20(19,18(21)23)13-6-5-12-19/h3-13H,1-2H3
InChIKey FNCDHQCMDOLKBJ-UHFFFAOYSA-N
SMILES C1(N(C(C23C=CC=CC12C=CC=C3)=O)C1=C(C=CC=C1C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924928