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(E)-6-(3-fluorophenyl)hex-3-en-5-yn-2-one
SpectraBase Compound ID 3nBnDjeGMn2
InChI InChI=1S/C12H9FO/c1-10(14)5-2-3-6-11-7-4-8-12(13)9-11/h2,4-5,7-9H,1H3/b5-2+
InChIKey HQQFKJVISMOUFR-GORDUTHDSA-N
Mol Weight 188.2 g/mol
Molecular Formula C12H9FO
Exact Mass 188.063743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INc5xCzp0XG
Name (E)-6-(3-fluorophenyl)hex-3-en-5-yn-2-one
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.063743072 u
Formula C12H9FO
GC Column HP-5MS (29.0 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C12H9FO/c1-10(14)5-2-3-6-11-7-4-8-12(13)9-11/h2,4-5,7-9H,1H3/b5-2+
InChIKey HQQFKJVISMOUFR-GORDUTHDSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202300552
Molecular Weight 188.201 g/mol
Quality 237
SMILES C(#C\C=C\C(C)=O)C1=CC=CC(=C1)F
SPLASH splash10-00ds-0900000000-299f137cc874d227fc06
Source of Spectrum K1-26-SM29-7d (DOI: 10.1002/ejoc.202300552)
Thin-Layer Chromatography 0.34 (Hexane/Ethyl Acetate, 92:8)
Wiley ID 1911463