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3-[(3-Fluorobenzyl)amino]cyclobut-3-ene-1,2-quinone

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

3-[(3-Fluorobenzyl)amino]cyclobut-3-ene-1,2-quinone
SpectraBase Compound ID BRBvMKVCwgL
InChI InChI=1S/C11H8FNO2/c12-8-3-1-2-7(4-8)6-13-9-5-10(14)11(9)15/h1-5,13H,6H2
InChIKey CANKBVOXZZYWLA-UHFFFAOYSA-N
Mol Weight 205.19 g/mol
Molecular Formula C11H8FNO2
Exact Mass 205.053907 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9DRiTzGnlTO
Name 3-[(3-Fluorobenzyl)amino]cyclobut-3-ene-1,2-quinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.053906663 u
Formula C11H8FNO2
InChI InChI=1S/C11H8FNO2/c12-8-3-1-2-7(4-8)6-13-9-5-10(14)11(9)15/h1-5,13H,6H2
InChIKey CANKBVOXZZYWLA-UHFFFAOYSA-N
Molecular Weight 205.188 g/mol
SMILES C1(C(C(=C1)NCC=1C=C(C=CC1)F)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950351