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

*Links on SpectraBase are not permalinks.

Hexane, 1-isothiocyanato

Compound with spectra: 1 FTIR, and 5 MS (GC)

Hexane, 1-isothiocyanato
SpectraBase Compound ID JTe98rypvTY
InChI InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKey WXYAXKKXIGHXDS-UHFFFAOYSA-N
Mol Weight 143.25 g/mol
Molecular Formula C7H13NS
Exact Mass 143.076871 g/mol

View Spectrum of Hexane, 1-isothiocyanato

MS (GC) Spectrum
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)

View Spectrum of Hexane, 1-isothiocyanato

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum T-66-348-0

View Spectrum of Hexane, 1-isothiocyanato

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum EK-1999-672-0

View Spectrum of Hexane, 1-isothiocyanato

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CN109608295A

View Spectrum of Hexane, 1-isothiocyanato

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Y-45-1673-4v

View Spectrum of Hexane, 1-isothiocyanato

FTIR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W442200
Technique Between salts
  • Hexyl isothiocyanate
  • n-hexyl isothiocyanate
  • n-Hexyl mustard oil
  • 1-Isothiocyanatohexane
1-Isothiocyanatopentane
1-Isothiocyanatohexadecane
isothiocyanic acid, octadecyl ester
isothiocyanic acid, dodecyl ester
1,4-Butane diisothiocyanate
isocyanic acid, hexyl ester
1-Isothiocyanato-5-(methylthio)pentane
isothiocyanic acid, propyl ester
7-METHYLTHIO-HEPTYL-ISOTHIOCYANATE
4-Pentenyl isothiocyanate

This compound is available in the following databases:

Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds, 3rd Edition
Author: Luigi Mondello

FFNSC provides in-depth coverage of monoterpene and sesquiterpene hydrocarbons, their oxygenated derivatives, and aliphatic oxygenated compounds, essential components in flavor and fragrance research. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.