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Methyl 4-Methyl-3-(phenylethynyl)thiophene-2-carboxylate
SpectraBase Compound ID 1r5wdvJj7au
InChI InChI=1S/C15H12O2S/c1-11-10-18-14(15(16)17-2)13(11)9-8-12-6-4-3-5-7-12/h3-7,10H,1-2H3
InChIKey VWZZSGXQDCRUTA-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C15H12O2S
Exact Mass 256.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Z4ZBpmXFrg
Name Methyl 4-Methyl-3-(phenylethynyl)thiophene-2-carboxylate
Appearance Yellow solid
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Formula C15H12O2S
InChI InChI=1S/C15H12O2S/c1-11-10-18-14(15(16)17-2)13(11)9-8-12-6-4-3-5-7-12/h3-7,10H,1-2H3
InChIKey VWZZSGXQDCRUTA-UHFFFAOYSA-N
Instrument Name GC??MS apparatus
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000468
Molecular Weight 256.319 g/mol
Reported Formula C15H12O2S
SMILES COC(=O)c1scc(c1C#Cc1ccccc1)C
SPLASH splash10-0a4l-0190000000-b10c7b5f4f4c1ea551b4
Source of Spectrum U1-2020-3718-3718-7
Wiley ID 1860756