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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LL7jbbS5Z1v
Name 3-(allylamino)-4-hydroxy-2-phenyl-cyclobut-2-en-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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 OC1C(C(=C1NCC=C)c1ccccc1)=O
SPLASH splash10-00xr-0960000000-e5b6f4eba975f2041bbf
Source of Spectrum K-2001-69-15
Synonyms 4-hydroxy-2-phenyl-3-(prop-2-enylamino)-1-cyclobut-2-enone 4-hydroxy-2-phenyl-3-(prop-2-enylamino)cyclobut-2-en-1-one 4-oxidanyl-2-phenyl-3-(prop-2-enylamino)cyclobut-2-en-1-one
Wiley ID 1578420