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n-Octyl isothiocyanate
SpectraBase Compound ID IY061sFexUj
InChI InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
InChIKey YEZHGQZHWKJPCM-UHFFFAOYSA-N
Mol Weight 171.3 g/mol
Molecular Formula C9H17NS
Exact Mass 171.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZN2FsKJNAg
Name n-Octyl isothiocyanate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NS
InChI InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
InChIKey YEZHGQZHWKJPCM-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.6
Molecular Weight 171.302 g/mol
SMILES C(N=C=S)CCCCCCC
SPLASH splash10-014i-6900000000-f0209d0b4bcf89a292b9
Source of Spectrum BJO-8-SM5-5-1
Wiley ID 1867386