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Octylbenzene

View entire compound with spectra: 7 NMR, 6 FTIR, 2 Raman, 10 MS (GC), and 2 Near IR

Octylbenzene
SpectraBase Compound ID C5MdUpegALX
InChI InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKey CDKDZKXSXLNROY-UHFFFAOYSA-N
Mol Weight 190.33 g/mol
Molecular Formula C14H22
Exact Mass 190.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZJsU59jbCp
Name Benzene, octyl-
CAS Registry Number 2189-60-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22
InChI InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKey CDKDZKXSXLNROY-UHFFFAOYSA-N
Molecular Weight 190.330 g/mol
SMILES C(CCCCCCC)c1ccccc1
SPLASH splash10-0006-9100000000-fbe8bf918e993efd4f55
Synonyms 1-Phenyloctane n-Octylbenzene Octylbenzene Octane, 1-phenyl- Phenyloctane AI3-16044 EINECS 218-582-1 NSC 404115
Wiley ID 1496412