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Mesitol
SpectraBase Compound ID 2dNPrtvkoFd
InChI InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChIKey BPRYUXCVCCNUFE-UHFFFAOYSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKPJbn86GIH
Name Mesityl alcohol
CAS Registry Number 527-60-6
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 136.088815005 u
Formula C9H12O
InChI InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChIKey BPRYUXCVCCNUFE-UHFFFAOYSA-N
Molecular Weight 136.194 g/mol
Number of Peaks 50
RI1 1209
RI2 887
RI3 1383
RI4 1344
SMILES Oc1c(C)cc(cc1C)C
SPLASH splash10-00dr-3900000000-334f42576213727d3f04
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 Phenol, 2,4,6-trimethyl-
Wiley ID LM_FFNSC3_3111