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

*Links on SpectraBase are not permalinks.
2-Ethyl-1-hexyl isothiocyanate
SpectraBase Compound ID Ceh7xWRr4uV
InChI InChI=1S/C9H17NS/c1-3-5-6-9(4-2)7-10-8-11/h9H,3-7H2,1-2H3
InChIKey ZYEYDQLSVHQXDC-UHFFFAOYSA-N
Mol Weight 171.3 g/mol
Molecular Formula C9H17NS
Exact Mass 171.108171 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 9Og1LaSlEkt
Name 2-Ethyl-1-hexyl isothiocyanate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NS
InChI InChI=1S/C9H17NS/c1-3-5-6-9(4-2)7-10-8-11/h9H,3-7H2,1-2H3
InChIKey ZYEYDQLSVHQXDC-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.6
Molecular Weight 171.302 g/mol
SMILES C(C)C(CN=C=S)CCCC
SPLASH splash10-0a4l-9600000000-31f49a787192802a1178
Source of Spectrum BJO-8-SM6-6-1
Wiley ID 1867387