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2-[(buta-1,3-dienyl)thio]-1-methylimidazole (mixture of isomers)
SpectraBase Compound ID 57ZUdyYkzMM
InChI InChI=1S/C8H10N2S/c1-3-4-7-11-8-9-5-6-10(8)2/h3-7H,1H2,2H3/b7-4+
InChIKey HJTKJKCXKWSIHC-QPJJXVBHSA-N
Mol Weight 166.24 g/mol
Molecular Formula C8H10N2S
Exact Mass 166.05647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7cDRN2XF7
Name 2-[(buta-1,3-dienyl)thio]-1-methylimidazole (mixture of isomers)
Alternate Name(s) (1E)-1,3-butadienyl 1-methyl-1H-imidazol-2-yl sulfide 2-[(1E)-1,3-butadienylsulfanyl]-1-methyl-1H-imidazole
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Formula C8H10N2S
InChI InChI=1S/C8H10N2S/c1-3-4-7-11-8-9-5-6-10(8)2/h3-7H,1H2,2H3/b7-4+
InChIKey HJTKJKCXKWSIHC-QPJJXVBHSA-N
Molecular Weight 166.242 g/mol
SMILES c1([n](ccn1)C)S\C=C\C=C
SPLASH splash10-0159-1900000000-5300e237321a9da111e2
Source of Spectrum B-48-651-0
Wiley ID 1162076