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2,4,6-Cycloheptatrien-1-one, 4-(1-methylethyl)-
SpectraBase Compound ID 5wWCtTJxgGv
InChI InChI=1S/C10H12O/c1-8(2)9-4-3-5-10(11)7-6-9/h3-8H,1-2H3
InChIKey IWPWMAJDSLSRIP-UHFFFAOYSA-N
Mol Weight 148.2 g/mol
Molecular Formula C10H12O
Exact Mass 148.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eRlHGnFTR6
Name Nezukone
CAS Registry Number 13656-81-0
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 148.088815005 u
Formula C10H12O
InChI InChI=1S/C10H12O/c1-8(2)9-4-3-5-10(11)7-6-9/h3-8H,1-2H3
InChIKey IWPWMAJDSLSRIP-UHFFFAOYSA-N
Molecular Weight 148.205 g/mol
Number of Peaks 50
RI1 1439
SMILES CC(C)C1=CC=CC(C=C1)=O
SPLASH splash10-0a4i-6900000000-484286e68732811ee2ad
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2,4,6-cycloheptatrien-1-one,4-(1-methylethyl)-
Wiley ID LM_FFNSC3_2208