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3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-penten-1-yl)-, 1-acetate
SpectraBase Compound ID 3381HfaPp2C
InChI InChI=1S/C15H24O2/c1-12(2)5-4-6-14-7-9-15(10-8-14)11-17-13(3)16/h5,7,15H,4,6,8-11H2,1-3H3
InChIKey HTQLNWONIAXQKC-UHFFFAOYSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5kLyK2LYIn
Name 3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-penten-1-yl)-, 1-acetate
CAS Registry Number 53889-39-7
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 236.177630011 u
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-12(2)5-4-6-14-7-9-15(10-8-14)11-17-13(3)16/h5,7,15H,4,6,8-11H2,1-3H3
InChIKey HTQLNWONIAXQKC-UHFFFAOYSA-N
Molecular Weight 236.355 g/mol
Number of Peaks 50
RI1 1726
RI2 1403
RI3 1553
RI4 1515
RI5 1686
SMILES C(C)(=O)OCC1CC=C(CC1)CCC=C(C)C
SPLASH splash10-00mo-9500000000-122606df01525c369a96
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 3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-penten-1-yl)-, 1-acetate
Wiley ID LM_FFNSC3_3195