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3-Butyl-4-(4-fluorobenzylamino)cyclobutene-1,2-dione
SpectraBase Compound ID 1ON8DK0mCKI
InChI InChI=1S/C15H16FNO2/c1-2-3-4-12-13(15(19)14(12)18)17-9-10-5-7-11(16)8-6-10/h5-8,17H,2-4,9H2,1H3
InChIKey WBBQDVKWJLNSEB-UHFFFAOYSA-N
Mol Weight 261.3 g/mol
Molecular Formula C15H16FNO2
Exact Mass 261.116507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAIHnWqnPT
Name 3-Butyl-4-(4-fluorobenzylamino)cyclobutene-1,2-dione
Alternate Name(s) 3-butyl-4-[(4-fluorobenzyl)amino]-3-cyclobutene-1,2-dione 3-butyl-4-[(4-fluorophenyl)methylamino]cyclobut-3-ene-1,2-dione
Comments Less than 3 mono-isotopic peaks
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Formula C15H16FNO2
InChI InChI=1S/C15H16FNO2/c1-2-3-4-12-13(15(19)14(12)18)17-9-10-5-7-11(16)8-6-10/h5-8,17H,2-4,9H2,1H3
InChIKey WBBQDVKWJLNSEB-UHFFFAOYSA-N
Molecular Weight 261.296 g/mol
SMILES N(C=1C(C(C1CCCC)=O)=O)Cc1ccc(cc1)F
SPLASH splash10-0a4i-0900000000-669b26da107c7290154e
Source of Spectrum K-2001-69-14
Wiley ID 1578310