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2-methylundecane
SpectraBase Compound ID Af76SGWgSce
InChI InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3
InChIKey GTJOHISYCKPIMT-UHFFFAOYSA-N
Mol Weight 170.34 g/mol
Molecular Formula C12H26
Exact Mass 170.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjsG7qEWauV
Name Purolan
CAS Registry Number 31807-55-3
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 170.203450837 u
Formula C12H26
InChI InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3
InChIKey GTJOHISYCKPIMT-UHFFFAOYSA-N
Molecular Weight 170.340 g/mol
Number of Peaks 50
RI1 993
RI2 664
RI5 992
SMILES CCCCCCCCCC(C)C
SPLASH splash10-0a4i-9000000000-01109e9a3ad5a7817298
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 Isododecane
Wiley ID LM_FFNSC3_3321