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4-Amino-3,5-cyclohexadien-1,2-dione, N-benzoyl-

View entire compound with spectra: 1 FTIR

4-Amino-3,5-cyclohexadien-1,2-dione, N-benzoyl-
SpectraBase Compound ID HidVJxiMzUF
InChI InChI=1S/C13H9NO3/c15-11-7-6-10(8-12(11)16)14-13(17)9-4-2-1-3-5-9/h1-8H,(H,14,17)
InChIKey GPWZRXPHNVSKIB-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C13H9NO3
Exact Mass 227.058243 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FNdlvnQ5TCa
Name 4-Amino-3,5-cyclohexadien-1,2-dione, N-benzoyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.058243151 u
Formula C13H9NO3
InChI InChI=1S/C13H9NO3/c15-11-7-6-10(8-12(11)16)14-13(17)9-4-2-1-3-5-9/h1-8H,(H,14,17)
InChIKey GPWZRXPHNVSKIB-UHFFFAOYSA-N
Molecular Weight 227.219 g/mol
SMILES C=1(C=CC(C(C1)=O)=O)NC(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911005