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3-(Allylamino)-4-phenyl-cyclobut-3-ene-1,2-dione

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

3-(Allylamino)-4-phenyl-cyclobut-3-ene-1,2-dione
SpectraBase Compound ID 2zFtBmE2AYe
InChI InChI=1S/C13H11NO2/c1-2-8-14-11-10(12(15)13(11)16)9-6-4-3-5-7-9/h2-7,14H,1,8H2
InChIKey CKMPTCRZTWWXHY-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FZt5Kt6ybax
Name 3-(Allylamino)-4-phenyl-cyclobut-3-ene-1,2-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.078978596 u
Formula C13H11NO2
InChI InChI=1S/C13H11NO2/c1-2-8-14-11-10(12(15)13(11)16)9-6-4-3-5-7-9/h2-7,14H,1,8H2
InChIKey CKMPTCRZTWWXHY-UHFFFAOYSA-N
Molecular Weight 213.236 g/mol
SMILES C1(C(C(=C1C=1C=CC=CC1)NCC=C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933844