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(2E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
SpectraBase Compound ID BfulX4F8ox1
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
InChIKey CRIGTVCBMUKRSL-FNORWQNLSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vFZbEyAOLC
Name Damascone
CAS Registry Number 24720-09-0
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 192.151415263 u
Formula C13H20O
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
InChIKey CRIGTVCBMUKRSL-FNORWQNLSA-N
Molecular Weight 192.302 g/mol
Number of Peaks 50
RI1 1389
RI2 1068
SMILES C=1CCC(C(C1C)C(\C=C\C)=O)(C)C
SPLASH splash10-014i-9200000000-a4a5f02f5213fa92e676
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-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-
Wiley ID LM_FFNSC3_1358