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1-Phenyl-3-heptanone
SpectraBase Compound ID GvZxVX5ZNqJ
InChI InChI=1S/C13H18O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKey ZGTHHNNORWULAE-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlOEP40qtH9
Name Phenyl heptan-3-one<1->
CAS Registry Number 19969-04-1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 190.135765199 u
Formula C13H18O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C13H18O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKey ZGTHHNNORWULAE-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
Nominal Mass 190 u
Number of Peaks 65
SMILES c1ccccc1CCC(CCCC)=O
SPLASH splash10-052f-9500000000-590da88073747f2c4018
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001107