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2-butyl-3-[(4-fluorobenzyl)amino]-4-hydroxy-cyclobut-2-en-1-one
SpectraBase Compound ID KjvPrcnKTam
InChI InChI=1S/C15H18FNO2/c1-2-3-4-12-13(15(19)14(12)18)17-9-10-5-7-11(16)8-6-10/h5-8,15,17,19H,2-4,9H2,1H3
InChIKey JSPQRIHIAQPPEW-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C15H18FNO2
Exact Mass 263.132157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xo9kIjhAhT
Name 2-butyl-3-[(4-fluorobenzyl)amino]-4-hydroxy-cyclobut-2-en-1-one
Alternate Name(s) 2-butyl-3-[(4-fluorophenyl)methylamino]-4-hydroxy-1-cyclobut-2-enone 2-butyl-3-[(4-fluorophenyl)methylamino]-4-hydroxy-cyclobut-2-en-1-one 2-butyl-3-[(4-fluorophenyl)methylamino]-4-oxidanyl-cyclobut-2-en-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H18FNO2
InChI InChI=1S/C15H18FNO2/c1-2-3-4-12-13(15(19)14(12)18)17-9-10-5-7-11(16)8-6-10/h5-8,15,17,19H,2-4,9H2,1H3
InChIKey JSPQRIHIAQPPEW-UHFFFAOYSA-N
Molecular Weight 263.312 g/mol
SMILES OC1C(C(=C1NCc1ccc(cc1)F)CCCC)=O
SPLASH splash10-0a4i-0900000000-0d77cdf5c791c18a30d3
Source of Spectrum K-2001-70-15
Wiley ID 1578413