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n-Pentyl isothiocyanate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

n-Pentyl isothiocyanate
SpectraBase Compound ID 4Ft7LNp8OKz
InChI InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3
InChIKey SGHJUJBYMSVAJY-UHFFFAOYSA-N
Mol Weight 129.22 g/mol
Molecular Formula C6H11NS
Exact Mass 129.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4K7KJK9GSaz
Name 1-Isothiocyanatopentane
CAS Registry Number 629-12-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11NS
InChI InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3
InChIKey SGHJUJBYMSVAJY-UHFFFAOYSA-N
Molecular Weight 129.221 g/mol
SMILES C(N=C=S)CCCC
SPLASH splash10-0006-9100000000-036b0c07ce5fa165c19d
Source of Spectrum S-17-2145-5
Synonyms n-Amyl isothiocyanate n-Pentyl isothiocyanate Pentane, 1-isothiocyanato- Pentyl isothiocyanate EINECS 211-075-6
Wiley ID 1132073