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Tasmanone
SpectraBase Compound ID C0359TKJgps
InChI InChI=1S/C14H20O4/c1-7(2)10(15)9-11(16)8(3)13(18-6)14(4,5)12(9)17/h7,9H,1-6H3
InChIKey WZXQWLWGLWIQGK-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpUiuBqwqh6
Name Tasmanone
CAS Registry Number 22595-52-4
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 252.136159120 u
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-7(2)10(15)9-11(16)8(3)13(18-6)14(4,5)12(9)17/h7,9H,1-6H3
InChIKey WZXQWLWGLWIQGK-UHFFFAOYSA-N
Molecular Weight 252.310 g/mol
Number of Peaks 50
RI1 1727
SMILES C1(OC)=C(C)C(C(C(C1(C)C)=O)C(C(C)C)=O)=O
SPLASH splash10-000l-9350000000-9c5497fb1498ba7fa806
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 4-Cyclohexene-1,3-dione, 5-methoxy-4,6,6-trimethyl-2-(2-methyl-1-oxopropyl)-
Wiley ID LM_FFNSC3_2733