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(5S,1E)-5-Hydroxy-1-phenyl-1-hepten-3-one
SpectraBase Compound ID HuhtEICmNj2
InChI InChI=1S/C13H16O2/c1-2-12(14)10-13(15)9-8-11-6-4-3-5-7-11/h3-9,12,14H,2,10H2,1H3/b9-8+/t12-/m0/s1
InChIKey FBBUEJOBLZHXRZ-BCPZQOPPSA-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 30vVqWcwpVj
Name (5S,1E)-5-Hydroxy-1-phenyl-1-hepten-3-one
Alternate Name(s) (1E,5S)-5-hydroxy-1-phenyl-1-hepten-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-2-12(14)10-13(15)9-8-11-6-4-3-5-7-11/h3-9,12,14H,2,10H2,1H3/b9-8+/t12-/m0/s1
InChIKey FBBUEJOBLZHXRZ-BCPZQOPPSA-N
Molecular Weight 204.269 g/mol
SMILES O[C@](CC(\C=C\c1ccccc1)=O)(CC)[H]
SPLASH splash10-001i-1900000000-60c97b9d76a7535504f5
Source of Spectrum KD-14-66-6
Wiley ID 1635733