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1,3-Butanedione, 2-butyl-1-phenyl-
SpectraBase Compound ID 6deJ09t5IRh
InChI InChI=1S/C14H18O2/c1-3-4-10-13(11(2)15)14(16)12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3
InChIKey UHORPYVBTFVDPA-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YKTMujtA5p
Name 1,3-Butanedione, 2-butyl-1-phenyl-
CAS Registry Number 10225-39-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-3-4-10-13(11(2)15)14(16)12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3
InChIKey UHORPYVBTFVDPA-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C(C(C(=O)c1ccccc1)CCCC)(=O)C
SPLASH splash10-0002-0920000000-2cd62e462854a1982322
Source of Spectrum SO-0-689-5
Synonyms 2-Butyl-1-phenyl-1,3-butanedione 2-butyl-1-phenyl-butane-1,3-dione
Wiley ID 1540987