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Thiocyanic acid, 2,3-dimethyl-2-butene-1,4-diyl ester, (E)-
SpectraBase Compound ID GlU7k6K0aJ0
InChI InChI=1S/C8H10N2S2/c1-7(3-11-5-9)8(2)4-12-6-10/h3-4H2,1-2H3/b8-7+
InChIKey HRYNMRYGHWJFBF-BQYQJAHWSA-N
Mol Weight 198.3 g/mol
Molecular Formula C8H10N2S2
Exact Mass 198.028541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IXeA2S7UWT
Name Thiocyanic acid, 2,3-dimethyl-2-butene-1,4-diyl ester, (E)-
CAS Registry Number 104514-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N2S2
InChI InChI=1S/C8H10N2S2/c1-7(3-11-5-9)8(2)4-12-6-10/h3-4H2,1-2H3/b8-7+
InChIKey HRYNMRYGHWJFBF-BQYQJAHWSA-N
Molecular Weight 198.302 g/mol
SMILES C(#N)SC\C(=C\(CSC#N)C)C
SPLASH splash10-004l-0900000000-74b4a8a82e12205c65ff
Source of Spectrum KC-1987-2732-3
Synonyms Thiocyanic acid, 2,3-dimethyl-2-butene-1,4-diyl ester (2E)-4-(cyanosulfanyl)-2,3-dimethyl-2-butenyl thiocyanate (E)-2,3-Dimethyl-2-buten-1,4-diyl-dithiocyanate 2,3-Dimethyl-1,4-dithiocyanatobut-2-ene thiocyanic acid[(E)-2,3-dimethyl-4-thiocyanato-but-2-enyl]ester [(E)-2,3-dimethyl-4-thiocyanato-but-2-enyl]thiocyanate thiocyanic acid [(E)-2,3-dimethyl-4-thiocyanatobut-2-enyl] ester [(E)-2,3-dimethyl-4-thiocyanatobut-2-enyl] thiocyanate [(E)-2,3-dimethyl-4-thiocyanato-but-2-enyl] thiocyanate
Wiley ID 1194955