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Perilla ketone
SpectraBase Compound ID 1BLPqrEeNaH
InChI InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3
InChIKey LVHLZMUFIYAEQB-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 AwbMki8TVtZ
Name Perilla ketone
CAS Registry Number 553-84-4
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/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3
InChIKey LVHLZMUFIYAEQB-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
SMILES C(=O)(CCC(C)C)c1ccoc1
SPLASH splash10-01ot-9400000000-8048c08b9881a59577c2
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887781