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3-[1-isopropylidene-3-methyl-2-(3-thienyl)but-2-enyl]thiophene
SpectraBase Compound ID HiGmBf3tv0N
InChI InChI=1S/C16H18S2/c1-11(2)15(13-5-7-17-9-13)16(12(3)4)14-6-8-18-10-14/h5-10H,1-4H3
InChIKey SUNWYRIGSDMYLF-UHFFFAOYSA-N
Mol Weight 274.44 g/mol
Molecular Formula C16H18S2
Exact Mass 274.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6w00Yu6KFeX
Name 3-[1-isopropylidene-3-methyl-2-(3-thienyl)but-2-enyl]thiophene
Appearance Colourless oil
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Exact Mass 274.084992928 u
Formula C16H18S2
InChI InChI=1S/C16H18S2/c1-11(2)15(13-5-7-17-9-13)16(12(3)4)14-6-8-18-10-14/h5-10H,1-4H3
InChIKey SUNWYRIGSDMYLF-UHFFFAOYSA-N
Instrument Name Finnigan Polaris Q ion trap
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201604527
Quality 171
Reported Formula C16H18S2
SMILES C(C(=C(C)C)C1=CSC=C1)(C1=CSC=C1)=C(C)C
SPLASH splash10-005a-4590000000-bf2496ef251c44c612b1
Source of Spectrum ACI-55-SM19-2r (DOI: 10.1002/anie.201604527)
Thin-Layer Chromatography 0.20 (PS, 40-60oC)
Wiley ID 1901029