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3-((2-(2-Phenylprop-1-en-1-yl)phenyl)ethynyl)thiophene
SpectraBase Compound ID Bc871vn75O5
InChI InChI=1S/C21H16S/c1-17(19-7-3-2-4-8-19)15-21-10-6-5-9-20(21)12-11-18-13-14-22-16-18/h2-10,13-16H,1H3
InChIKey UBRFCPLZPAIWQZ-UHFFFAOYSA-N
Mol Weight 300.42 g/mol
Molecular Formula C21H16S
Exact Mass 300.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZcFdR7AMkG
Name 3-((2-(2-Phenylprop-1-en-1-yl)phenyl)ethynyl)thiophene
Appearance Brown solid
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Exact Mass 300.097271689 u
Formula C21H16S
GC Column HP-5MS
InChI InChI=1S/C21H16S/c1-17(19-7-3-2-4-8-19)15-21-10-6-5-9-20(21)12-11-18-13-14-22-16-18/h2-10,13-16H,1H3
InChIKey UBRFCPLZPAIWQZ-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405789
Molecular Weight 300.419 g/mol
SMILES C1=CC=CC(=C1C=C(C=1C=CC=CC1)C)C#CC=1C=CSC1
SPLASH splash10-0udr-0093000000-ae499560f6048e8bfefa
Sample Comments Major isomer, dr = ~1.5:1
Source of Spectrum QE-21-SM9-6d (DOI: 10.1002/chem.201405789)
Thin-Layer Chromatography 0.45 (hexane/EtOAc, 10:1)
Wiley ID 1907715