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Furane-2-thiocarboxylic acid, 5-(2-phenylethynyl)-, S-(4-methylphenyl) ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Furane-2-thiocarboxylic acid, 5-(2-phenylethynyl)-, S-(4-methylphenyl) ester
SpectraBase Compound ID 4M1QRRYJFDX
InChI InChI=1S/C20H14O2S/c1-15-7-12-18(13-8-15)23-20(21)19-14-11-17(22-19)10-9-16-5-3-2-4-6-16/h2-8,11-14H,1H3
InChIKey OCBBDVXWMPNILE-UHFFFAOYSA-N
Mol Weight 318.39 g/mol
Molecular Formula C20H14O2S
Exact Mass 318.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnzhYCWnzc1
Name Furane-2-thiocarboxylic acid, 5-(2-phenylethynyl)-, S-(4-methylphenyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.071450863 u
Formula C20H14O2S
InChI InChI=1S/C20H14O2S/c1-15-7-12-18(13-8-15)23-20(21)19-14-11-17(22-19)10-9-16-5-3-2-4-6-16/h2-8,11-14H,1H3
InChIKey OCBBDVXWMPNILE-UHFFFAOYSA-N
Molecular Weight 318.390 g/mol
SMILES C=1(C(SC2=CC=C(C=C2)C)=O)OC(C#CC2=CC=CC=C2)=CC1