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Ethyl 5-Phenyl-2-penten-4-ynethioate

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Ethyl 5-Phenyl-2-penten-4-ynethioate
SpectraBase Compound ID 65wohqLxCrx
InChI InChI=1S/C13H12OS/c1-2-15-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11H,2H2,1H3/b11-7+
InChIKey SMJDSFXMNHKSHK-YRNVUSSQSA-N
Mol Weight 216.3 g/mol
Molecular Formula C13H12OS
Exact Mass 216.060886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJR0KHoqHTg
Name ETHYL-5-PHENYL-2-PENTEN-4-YNE-THIOATE
CAS Registry Number 127915-53-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12OS
InChI InChI=1S/C13H12OS/c1-2-15-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11H,2H2,1H3/b11-7+
InChIKey SMJDSFXMNHKSHK-YRNVUSSQSA-N
Literature Reference Author N.KRAUSE
Literature Reference Citation CHEM.BER.,123,2173(1990)
Literature Reference DOI 10.1002/cber.19901231114
Molecular Weight 216.298 g/mol
Solvent CDCl3
Source File Reference UWED6738