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Cyclohex-3-ene-1-methanol <3,5-dimethyl-> acetate
SpectraBase Compound ID GblBT1F44fB
InChI InChI=1S/C11H18O2/c1-8-4-9(2)6-11(5-8)7-13-10(3)12/h4,8,11H,5-7H2,1-3H3
InChIKey UBKMAHYFGPIVKA-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8HT7QcevHx
Name Cyclohex-3-ene-1-methanol <3,5-dimethyl-> acetate
CAS Registry Number 67634-25-7
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 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-8-4-9(2)6-11(5-8)7-13-10(3)12/h4,8,11H,5-7H2,1-3H3
InChIKey UBKMAHYFGPIVKA-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
Number of Peaks 50
RI1 1310
RI2 987
RI3 1087
RI4 1045
SMILES C1(=CC(CC(C1)COC(C)=O)C)C
SPLASH splash10-052f-9500000000-c4f16d04ca9f7642122b
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, 3,5-dimethyl-, acetate
Wiley ID LM_FFNSC3_1320