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Atlantone<(Z)-gamma->
SpectraBase Compound ID IU7MbGugdGo
InChI InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9H,6-8,10H2,1-4H3/b14-13+
InChIKey QEAHSEZXAQIWSW-BUHFOSPRSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hBOFLhlSiz
Name Atlantone <(Z)-gamma->
CAS Registry Number 108549-48-0
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 218.167065327 u
Formula C15H22O
InChI InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9H,6-8,10H2,1-4H3/b14-13+
InChIKey QEAHSEZXAQIWSW-BUHFOSPRSA-N
Molecular Weight 218.340 g/mol
Number of Peaks 42
RI1 1694
SMILES C1C\C(=C/(C)CC(=O)C=C(C)C)CC=C1C
SPLASH splash10-053r-9500000000-6a85399a4eb47c4b4319
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-Hepten-4-one, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-, (6Z)-
Wiley ID LM_FFNSC3_2125