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3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate
SpectraBase Compound ID 39GITrYEf9B
InChI InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3
InChIKey CMKQOKAXUWQAHG-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MWVR7bl3on
Name Terpinyl propionate
Source of Sample SAFC Cat.no. W305308
CAS Registry Number 80-27-3
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 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3
InChIKey CMKQOKAXUWQAHG-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
Number of Peaks 50
RI1 1438
RI2 1117
SMILES CC(C)(C1CC=C(CC1)C)OC(=O)CC
SPLASH splash10-0596-9500000000-ee3514e55d54612dd6c7
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, alpha,alpha,4-trimethyl-, 1-propanoate
Wiley ID LM_FFNSC3_2068