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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwAsFdSb7HO
Name 3-(allylamino)-4-phenyl-cyclobut-3-ene-1,2-dione
Comments Less than 3 mono-isotopic peaks
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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 N(C=1C(C(C1c1ccccc1)=O)=O)CC=C
SPLASH splash10-000i-9020000000-1c364b793958e791fcf5
Source of Spectrum K-2001-69-14
Synonyms 3-(allylamino)-4-phenyl-cyclobut-3-ene-1,2-quinone 3-phenyl-4-(prop-2-enylamino)cyclobut-3-ene-1,2-dione
Wiley ID 1578318