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4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one
SpectraBase Compound ID 9yxRmHaihIs
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
InChIKey QJJDNZGPQDGNDX-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98fL4VyEvBd
Name Dihydroionone
Source of Sample SAFC Cat.no. W362603
CAS Registry Number 17283-81-7
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 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
InChIKey QJJDNZGPQDGNDX-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
Number of Peaks 50
RI1 1438
RI2 1117
RI3 1222
RI4 1180
RI5 1423
SMILES C1CC(=C(C(C1)(C)C)CCC(C)=O)C
SPLASH splash10-006x-9600000000-98dba8cd9d7081ea04fe
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-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
Wiley ID LM_FFNSC3_132