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(E)-1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE
SpectraBase Compound ID I0oSaOL11Jy
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5-
InChIKey BGTBFNDXYDYBEY-ALCCZGGFSA-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 BC0O5483uYx
Name Damascone <(Z)-beta->
CAS Registry Number 23726-92-3
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/h5,7H,6,8-9H2,1-4H3/b7-5-
InChIKey BGTBFNDXYDYBEY-ALCCZGGFSA-N
Molecular Weight 192.302 g/mol
Number of Peaks 50
RI1 1388
SMILES C1(=C(CCCC1(C)C)C)C(\C=C/C)=O
SPLASH splash10-00tf-9600000000-85bd96ad734e7f862ec2
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-1-cyclohexen-1-yl)-
Wiley ID LM_FFNSC3_2748