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ETHER, BENZYL ISOPENTYL,
SpectraBase Compound ID 1i7J1efJkgm
InChI InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey RXXCIBALSKQCAE-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25BCPl9CMkU
Name Gardenia ether
Source of Sample Bedoukian F&F Cat.no. 158
CAS Registry Number 122-73-6
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 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey RXXCIBALSKQCAE-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
Number of Peaks 50
RI1 1312
RI2 990
RI3 1066
RI4 1024
SMILES CC(CCOCc1ccccc1)C
SPLASH splash10-0006-9000000000-701114ac940316c65fc3
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 Benzene, [(3-methylbutoxy)methyl]-
Wiley ID LM_FFNSC3_1967