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3-(Allylamino)-4-hydroxy-2-phenyl-cyclobut-2-en-1-one

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

3-(Allylamino)-4-hydroxy-2-phenyl-cyclobut-2-en-1-one
SpectraBase Compound ID 8KS68DCfO03
InChI InChI=1S/C13H13NO2/c1-2-8-14-11-10(12(15)13(11)16)9-6-4-3-5-7-9/h2-7,13-14,16H,1,8H2
InChIKey FXARRKJCZHLBNR-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CMnWwA2M1Li
Name 3-(Allylamino)-4-hydroxy-2-phenyl-cyclobut-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.094628661 u
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-2-8-14-11-10(12(15)13(11)16)9-6-4-3-5-7-9/h2-7,13-14,16H,1,8H2
InChIKey FXARRKJCZHLBNR-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES C1(C(=C(C1O)NCC=C)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903796