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Elsholtzia ketone
SpectraBase Compound ID 23nx5t9pGpi
InChI InChI=1S/C10H14O2/c1-7(2)6-9(11)10-8(3)4-5-12-10/h4-5,7H,6H2,1-3H3
InChIKey MYPGRLGQLDFZMK-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IqHADKMpTg
Name Elsholtzia ketone
CAS Registry Number 488-05-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C10H14O2/c1-7(2)6-9(11)10-8(3)4-5-12-10/h4-5,7H,6H2,1-3H3
InChIKey MYPGRLGQLDFZMK-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
SMILES c1cc(C)c(o1)C(CC(C)C)=O
SPLASH splash10-0ab9-2900000000-1f1fa20faac34ada1f38
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887341