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1-(4-Tert-butylphenyl)propane-1,2-dione
SpectraBase Compound ID J6X4CtOKbCu
InChI InChI=1S/C13H16O2/c1-9(14)12(15)10-5-7-11(8-6-10)13(2,3)4/h5-8H,1-4H3
InChIKey CLKRECFJTSUZKZ-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpdcJOwlrgE
Name 1-(4-tert-Butylphenyl)propane-1,2-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-9(14)12(15)10-5-7-11(8-6-10)13(2,3)4/h5-8H,1-4H3
InChIKey CLKRECFJTSUZKZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo201029p
Molecular Weight 204.269 g/mol
SMILES c1cc(ccc1C(C)(C)C)C(C(=O)C)=O
SPLASH splash10-03di-0900000000-cc33bd3e1918d9c058aa
Source of Spectrum J-76-6960-2h
Synonyms 1-(4-(tert-butyl)phenyl)propane-1,2-dione
Wiley ID 1746772