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2-Amino-5-(4-amino-3-methylphenyl)tropone

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

2-Amino-5-(4-amino-3-methylphenyl)tropone
SpectraBase Compound ID KGcU1jVzlGK
InChI InChI=1S/C14H14N2O/c1-9-8-11(3-5-12(9)15)10-2-6-13(16)14(17)7-4-10/h2-8H,15H2,1H3,(H2,16,17)
InChIKey NPZBFDAHMQWRJI-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C14H14N2O
Exact Mass 226.110613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4YyClb9QWsX
Name 2-Amino-5-(4-amino-3-methylphenyl)-tropone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.110613078 u
Formula C14H14N2O
InChI InChI=1S/C14H14N2O/c1-9-8-11(3-5-12(9)15)10-2-6-13(16)14(17)7-4-10/h2-8H,15H2,1H3,(H2,16,17)
InChIKey NPZBFDAHMQWRJI-UHFFFAOYSA-N
Molecular Weight 226.279 g/mol
SMILES C1(N)=CC=C(C=CC1=O)C1=CC(C)=C(N)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849778