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1-Pentylhexylbenzene
SpectraBase Compound ID 309O7ENtvgm
InChI InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3
InChIKey WCABIRIFXVXGQH-UHFFFAOYSA-N
Mol Weight 232.41 g/mol
Molecular Formula C17H28
Exact Mass 232.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJ2rIVcoo6i
Name 1-Pentylhexylbenzene
CAS Registry Number 4537-14-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28
InChI InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3
InChIKey WCABIRIFXVXGQH-UHFFFAOYSA-N
Molecular Weight 232.411 g/mol
SMILES CCCCCC(CCCCC)c1ccccc1
SPLASH splash10-01ox-9810000000-b39ab84838375db4d2cf
Source of Spectrum JC-589-235-0
Synonyms (1-Pentylhexyl)benzene 1-Amylhexylbenzene 6-Phenylundecane Benzene, (1-pentylhexyl)- undecan-6-ylbenzene Undecane, 6-phenyl-
Wiley ID 1234498