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ortho-Cymene
SpectraBase Compound ID 9YQn4t8VB79
InChI InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
InChIKey WWRCMNKATXZARA-UHFFFAOYSA-N
Mol Weight 134.22 g/mol
Molecular Formula C10H14
Exact Mass 134.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rrXx8SU0Bb
Name Cymene
CAS Registry Number 527-84-4
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 134.109550451 u
Formula C10H14
InChI InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
InChIKey WWRCMNKATXZARA-UHFFFAOYSA-N
Molecular Weight 134.222 g/mol
Number of Peaks 50
RI1 1024
RI2 695
SMILES c1ccc(c(c1)C(C)C)C
SPLASH splash10-014i-8900000000-2280d68d64802848e383
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, 1-methyl-2-(1-methylethyl)-
Wiley ID LM_FFNSC3_1735