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4-(E)-Pentenylacetophenone

View entire compound with spectra: 4 MS (GC)

4-(E)-Pentenylacetophenone
SpectraBase Compound ID KQ4iw5fcZqR
InChI InChI=1S/C13H16O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h2,5-7,9-10H,1,3-4,8,11H2
InChIKey FOBPTHDRBJQLJG-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CyICNLsmwg
Name 1-Phenylhept-6-en-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.120115134 u
Formula C13H16O
InChI InChI=1S/C13H16O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h2,5-7,9-10H,1,3-4,8,11H2
InChIKey FOBPTHDRBJQLJG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202116625
Molecular Weight 188.270 g/mol
Quality 108
Reported Formula C13H16O
SMILES C(CCC(C1=CC=CC=C1)=O)CC=C
SPLASH splash10-0ab9-2900000000-05fc7112f9bf8ba6d528
Source of Spectrum ACI-61-SM40-3t (DOI: 10.1002/anie.202116625)
Wiley ID 1897525