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Propynyl 8-phenyl-6H-benzofuro[2,3-c]]thiopyran-5-carboxylate
SpectraBase Compound ID kdyc0oEEWA
InChI InChI=1S/C21H14O3S/c1-2-12-23-21(22)16-13-25-20(14-8-4-3-5-9-14)19-18(16)15-10-6-7-11-17(15)24-19/h1,3-11H,12-13H2
InChIKey PFJKLGPWEQMYGD-UHFFFAOYSA-N
Mol Weight 346.4 g/mol
Molecular Formula C21H14O3S
Exact Mass 346.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B22qaSLcKGm
Name Propynyl 8-phenyl-6H-benzofuro[2,3-c]]thiopyran-5-carboxylate
Alternate Name(s) 1-phenyl-3H-thiopyrano[3,4-b]benzofuran-4-carboxylic acid prop-2-ynyl ester prop-2-ynyl 1-phenyl-3H-thiopyrano[3,4-b]benzofuran-4-carboxylate prop-2-ynyl 1-phenyl-3H-thiopyrano[3,4-b][1]benzofuran-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H14O3S
InChI InChI=1S/C21H14O3S/c1-2-12-23-21(22)16-13-25-20(14-8-4-3-5-9-14)19-18(16)15-10-6-7-11-17(15)24-19/h1,3-11H,12-13H2
InChIKey PFJKLGPWEQMYGD-UHFFFAOYSA-N
Molecular Weight 346.400 g/mol
SMILES C1=2C(=C(C(=O)OCC#C)CSC2c2ccccc2)c2ccccc2O1
SPLASH splash10-03dj-0009000000-6c7d8ea182d073fcda54
Source of Spectrum SO-0-730-7
Wiley ID 1544926