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4'-fluoroheptanophenone
SpectraBase Compound ID 70Xyin2fVYP
InChI InChI=1S/C13H17FO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3
InChIKey XSLBFDHIAHPUBK-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 1vK0PHbN7g
Name 1-(4-Fluorophenyl)heptan-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.126343329 u
Formula C13H17FO
InChI InChI=1S/C13H17FO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3
InChIKey XSLBFDHIAHPUBK-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004840
Molecular Weight 208.276 g/mol
Quality 77
SMILES C=1C(=CC=C(C(=O)CCCCCC)C1)F
SPLASH splash10-00dr-1900000000-5dd29226d9b0228aae65
Source of Spectrum QE-27-SM34-2p (DOI: 10.1002/chem.202004840)
Thin-Layer Chromatography 0.50 (petroleum ether/Et2O, 98:2)
Wiley ID 1902314