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Cetonal
SpectraBase Compound ID 1tabB49bQ1P
InChI InChI=1S/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-11H,5-9H2,1-4H3
InChIKey MXNVWZZDDFIWHW-UHFFFAOYSA-N
Mol Weight 208.34 g/mol
Molecular Formula C14H24O
Exact Mass 208.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYCKMQIEF0A
Name Cetonal
CAS Registry Number 65405-84-7
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 208.182715392 u
Formula C14H24O
InChI InChI=1S/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-11H,5-9H2,1-4H3
InChIKey MXNVWZZDDFIWHW-UHFFFAOYSA-N
Molecular Weight 208.345 g/mol
Number of Peaks 50
RI1 1479
RI2 1157
SMILES C1CCC(C(=C1C)CCC(C)C=O)(C)C
SPLASH splash10-002f-9200000000-a1c2e85dd2a18dadecf3
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 Cyclohexenebutanal, alpha,2,2,6-tetramethyl-
Wiley ID LM_FFNSC3_1176