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Thiocyanic acid, 2,3-dimethyl-2-butene-1,4-diyl ester, (Z)-
SpectraBase Compound ID 5a2WWlXcm3B
InChI InChI=1S/C8H10N2S2/c1-7(3-11-5-9)8(2)4-12-6-10/h3-4H2,1-2H3/b8-7-
InChIKey HRYNMRYGHWJFBF-FPLPWBNLSA-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 H4rbC0D82I
Name Thiocyanic acid, 2,3-dimethyl-2-butene-1,4-diyl ester, (Z)-
CAS Registry Number 112127-22-7
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-FPLPWBNLSA-N
Molecular Weight 198.302 g/mol
SMILES C(#N)SC\C(=C/(CSC#N)C)C
SPLASH splash10-004l-9800000000-4cc9b49d4faf3555f791
Source of Spectrum H-69-1911-11
Synonyms (2Z)-4-(cyanosulfanyl)-2,3-dimethyl-2-butenyl thiocyanate (Z)-2,3-Dimethyl-2-buten-1,4-diyl-dithiocyanate thiocyanic acid[(Z)-2,3-dimethyl-4-thiocyanato-but-2-enyl]ester [(Z)-2,3-dimethyl-4-thiocyanato-but-2-enyl]thiocyanate thiocyanic acid [(Z)-2,3-dimethyl-4-thiocyanatobut-2-enyl] ester [(Z)-2,3-dimethyl-4-thiocyanatobut-2-enyl] thiocyanate [(Z)-2,3-dimethyl-4-thiocyanato-but-2-enyl] thiocyanate
Wiley ID 1194952