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Thiocyanic acid, octyl ester
SpectraBase Compound ID 8FxLbdx87a2
InChI InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H3
InChIKey FGVYCHQRRXDRAR-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 7KiTkr0ud5S
Name Thiocyanic acid, octyl ester
Alternate Name(s) 1-Thiocyanatooctane n-Octyl thiocyanate Octyl rhodanate Octyl thiocyanate Oktylthiokyanat AI3-01125 BRN 1755531 EINECS 243-436-9 NSC 100743
CAS Registry Number 19942-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NS
InChI InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H3
InChIKey FGVYCHQRRXDRAR-UHFFFAOYSA-N
Molecular Weight 171.302 g/mol
SMILES CCCCCCCCSC#N
SPLASH splash10-052f-9100000000-68d2ee5edf8e3c39307d
Source of Spectrum HE-1982-0-0
Wiley ID 1167969