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Thiocyanic acid, 1,3-butadienyl ester, (E)-
SpectraBase Compound ID BpqBXjnj3hc
InChI InChI=1S/C5H5NS/c1-2-3-4-7-5-6/h2-4H,1H2/b4-3+
InChIKey VTZZIJWUSINDMV-ONEGZZNKSA-N
Mol Weight 111.16 g/mol
Molecular Formula C5H5NS
Exact Mass 111.01427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQtmYzDZZXi
Name Thiocyanic acid, 1,3-butadienyl ester, (E)-
CAS Registry Number 98810-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5NS
InChI InChI=1S/C5H5NS/c1-2-3-4-7-5-6/h2-4H,1H2/b4-3+
InChIKey VTZZIJWUSINDMV-ONEGZZNKSA-N
Molecular Weight 111.162 g/mol
SMILES C(#N)S\C=C\C=C
SPLASH splash10-01q9-9300000000-1a2fb51cf1b53d8c27d4
Source of Spectrum H-69-1911-4
Synonyms (1E)-1,3-butadienyl thiocyanate (E)-1,3-Butadienyl-thiocyanate thiocyanic acid[(1E)-buta-1,3-dienyl]ester [(1E)-buta-1,3-dienyl]thiocyanate [(1E)-buta-1,3-dienyl] thiocyanate
Wiley ID 1122796