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n-Cetyl thiocyanate

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

n-Cetyl thiocyanate
SpectraBase Compound ID XrrND4RfsS
InChI InChI=1S/C17H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h2-16H2,1H3
InChIKey OCDDFQZMFBDQKD-UHFFFAOYSA-N
Mol Weight 283.5 g/mol
Molecular Formula C17H33NS
Exact Mass 283.233371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2wOq1lwVfI
Name n-Cetyl thiocyanate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H33NS
InChI InChI=1S/C17H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h2-16H2,1H3
InChIKey OCDDFQZMFBDQKD-UHFFFAOYSA-N
Molecular Weight 283.518 g/mol
SMILES C(CCCCCCCCCCCCCCC)SC#N
SPLASH splash10-0ab9-9000000000-211df21a0c14f209e00c
Source of Spectrum KC-61-5533-0
Synonyms Hexadecyl thiocyanate thiocyanic acid cetyl ester thiocyanic acid hexadecyl ester
Wiley ID 1629507