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1-(4-Fluorophenyl)-4,4-dimethylpentan-2-one
SpectraBase Compound ID 6ZXfEk6bEq4
InChI InChI=1S/C13H17FO/c1-13(2,3)9-12(15)8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey IEZLNDQIGJDDDB-UHFFFAOYSA-N
Mol Weight 208.28 g/mol
Molecular Formula C13H17FO
Exact Mass 208.126343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E11jqLlKxkj
Name 1-(4-Fluorophenyl)-4,4-dimethylpentan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17FO
InChI InChI=1S/C13H17FO/c1-13(2,3)9-12(15)8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey IEZLNDQIGJDDDB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.200800161
Molecular Weight 208.276 g/mol
SMILES c1cc(CC(CC(C)(C)C)=O)ccc1F
SPLASH splash10-0a4i-9200000000-4ec3039a11b2e645b43b
Source of Spectrum CAJ-3-1686-4k
Synonyms 1-(4-fluorophenyl)-4,4-dimethyl-2-pentanone
Wiley ID 1775078