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Benzene, (1-methylhexyl)-
SpectraBase Compound ID LUcS5laKoeJ
InChI InChI=1S/C13H20/c1-3-4-6-9-12(2)13-10-7-5-8-11-13/h5,7-8,10-12H,3-4,6,9H2,1-2H3
InChIKey CAEGRAMHTMWFPP-UHFFFAOYSA-N
Mol Weight 176.3 g/mol
Molecular Formula C13H20
Exact Mass 176.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hCleVBSGLR
Name (1-Methylhexyl)benzene
CAS Registry Number 2132-84-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20
InChI InChI=1S/C13H20/c1-3-4-6-9-12(2)13-10-7-5-8-11-13/h5,7-8,10-12H,3-4,6,9H2,1-2H3
InChIKey CAEGRAMHTMWFPP-UHFFFAOYSA-N
Molecular Weight 176.303 g/mol
SMILES CC(c1ccccc1)CCCCC
SPLASH splash10-0a4i-6900000000-69ca7af46041b5efc945
Source of Spectrum HE-1982-0-0
Synonyms Benzene, (1-methylhexyl)- Heptan-2-ylbenzene Heptane, 2-phenyl-
Wiley ID 1172850