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Majantol
SpectraBase Compound ID HrORvnAMu9H
InChI InChI=1S/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3
InChIKey FYMOBFDUZIDKMI-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 BnD7R5dbJMj
Name Majantol
CAS Registry Number 103694-68-4
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 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3
InChIKey FYMOBFDUZIDKMI-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
Number of Peaks 50
RI1 1414
RI2 1093
SMILES OCC(Cc1cc(ccc1)C)(C)C
SPLASH splash10-0a4i-7900000000-d307e6b42e610d02f155
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 Benzenepropanol, beta,beta,3-trimethyl-
Wiley ID LM_FFNSC3_1785