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N-Hexylbenzene

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, 8 MS (GC), and 2 Near IR

N-Hexylbenzene
SpectraBase Compound ID BMkHKlZTlcx
InChI InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKey LTEQMZWBSYACLV-UHFFFAOYSA-N
Mol Weight 162.28 g/mol
Molecular Formula C12H18
Exact Mass 162.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D34HHNwW4BP
Name Benzene, hexyl-
CAS Registry Number 1077-16-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18
InChI InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKey LTEQMZWBSYACLV-UHFFFAOYSA-N
Molecular Weight 162.276 g/mol
SMILES CCCCCCc1ccccc1
SPLASH splash10-0006-9200000000-8749b6e0612a24d6bf48
Source of Spectrum PR-931-0-0
Synonyms Hexane, 1-phenyl- 1-Phenylhexane Hexylbenzene EINECS 214-070-7 NSC 86141
Wiley ID 1159086