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Thiocyanic acid, 2-methyl-2-butene-1,4-diyl ester
SpectraBase Compound ID 9XDWoxT2bji
InChI InChI=1S/C7H8N2S2/c1-7(4-11-6-9)2-3-10-5-8/h2H,3-4H2,1H3/b7-2+
InChIKey IMOUKMJHUNACCO-FARCUNLSSA-N
Mol Weight 184.27 g/mol
Molecular Formula C7H8N2S2
Exact Mass 184.012891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lr04afoBKX7
Name Thiocyanic acid, 2-methyl-2-butene-1,4-diyl ester
CAS Registry Number 104514-72-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N2S2
InChI InChI=1S/C7H8N2S2/c1-7(4-11-6-9)2-3-10-5-8/h2H,3-4H2,1H3/b7-2+
InChIKey IMOUKMJHUNACCO-FARCUNLSSA-N
Molecular Weight 184.275 g/mol
SMILES C(#N)SC\C=C\(CSC#N)C
SPLASH splash10-014i-9300000000-d9c9386d997b7929c78c
Source of Spectrum KC-1987-2732-2
Synonyms thiocyanic acid [(E)-2-methyl-4-thiocyanatobut-2-enyl] ester [(E)-2-methyl-4-thiocyanatobut-2-enyl] thiocyanate [(E)-2-methyl-4-thiocyanato-but-2-enyl] thiocyanate
Wiley ID 1180084