For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,3,6-Trimethylphenol
SpectraBase Compound ID D1jQANkpHdQ
InChI InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChIKey QQOMQLYQAXGHSU-UHFFFAOYSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4N1OrIf70jT
Name Phenol <2,3,6-trimethyl->
Source of Sample SAFC Cat.no. W396303
CAS Registry Number 2416-94-6
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/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChIKey QQOMQLYQAXGHSU-UHFFFAOYSA-N
Molecular Weight 136.194 g/mol
Number of Peaks 50
RI1 1234
RI2 912
SMILES Oc1c(C)c(ccc1C)C
SPLASH splash10-00dr-5900000000-4c4256dbfb4d6bd3920d
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, 2,3,6-trimethyl-
Wiley ID LM_FFNSC3_2070