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Vinylcyclohexane <1-acetoxy-, 2-sec-butyl->
SpectraBase Compound ID AL3NDjuP21q
InChI InChI=1S/C14H24O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h6,11,13H,2,5,7-10H2,1,3-4H3
InChIKey KOSQMCNVEGXSCQ-UHFFFAOYSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLD0BY945xt
Name Vinylcyclohexane <1-acetoxy-, 2-sec-butyl->
CAS Registry Number 37172-02-4
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 224.177630011 u
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h6,11,13H,2,5,7-10H2,1,3-4H3
InChIKey KOSQMCNVEGXSCQ-UHFFFAOYSA-N
Molecular Weight 224.344 g/mol
Number of Peaks 50
RI1 1456
RI2 1134
SMILES C1CCC(C(C1)(C=C)OC(C)=O)C(CC)C
SPLASH splash10-0a4l-9300000000-b99e994e475a55a08cb5
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 Cyclohexanol, 1-ethenyl-2-(1-methylpropyl)-, acetate
Wiley ID LM_FFNSC3_1230