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2-Amino-3-(1-oxo-2-phenylethyl)naphthalene-1,4-dione

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

2-Amino-3-(1-oxo-2-phenylethyl)naphthalene-1,4-dione
SpectraBase Compound ID 262pyhVyRFy
InChI InChI=1S/C18H13NO3/c19-16-15(14(20)10-11-6-2-1-3-7-11)17(21)12-8-4-5-9-13(12)18(16)22/h1-9H,10,19H2
InChIKey BRKPMODGPAYIGC-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C18H13NO3
Exact Mass 291.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JpjSfUrqTkF
Name 2-Amino-3-(1-oxo-2-phenylethyl)naphthalene-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.089543280 u
Formula C18H13NO3
InChI InChI=1S/C18H13NO3/c19-16-15(14(20)10-11-6-2-1-3-7-11)17(21)12-8-4-5-9-13(12)18(16)22/h1-9H,10,19H2
InChIKey BRKPMODGPAYIGC-UHFFFAOYSA-N
SMILES C1(C(=C(C(C=2C=CC=CC12)=O)C(=O)CC=1C=CC=CC1)N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859816