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5-Phenylhexan-2-one
SpectraBase Compound ID KNytIDdkU9y
InChI InChI=1S/C12H16O/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
InChIKey UBTPKYDISLNBLJ-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IxSMsABifE
Name 5-Phenylhexan-2-one
CAS Registry Number 18216-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
InChIKey UBTPKYDISLNBLJ-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES C(=O)(CCC(c1ccccc1)C)C
SPLASH splash10-0693-6900000000-411db57451f6f2dc3a7f
Source of Spectrum F-50-1950-53
Wiley ID 1172618