For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzene,(1-propyloctyl)-
SpectraBase Compound ID CMwXD1FD5Ui
InChI InChI=1S/C17H28/c1-3-5-6-7-9-13-16(12-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
InChIKey NSQAXMRLBNXEHK-UHFFFAOYSA-N
Mol Weight 232.41 g/mol
Molecular Formula C17H28
Exact Mass 232.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2liuFXORlzs
Name Benzene,(1-propyloctyl)-
CAS Registry Number 4536-86-1
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 232.219100902 u
Formula C17H28
InChI InChI=1S/C17H28/c1-3-5-6-7-9-13-16(12-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
InChIKey NSQAXMRLBNXEHK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 232.411 g/mol
Nominal Mass 232 u
Quality 994
SMILES C=1(C(CCCCCCC)CCC)C=CC=CC1
SPLASH splash10-0006-9500000000-6223088f86632353cf40
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms undecan-4-ylbenzene
Technique GC/MS
Wiley ID DD2024_034622