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2-Phenylthio-4-pentynoic acid, methyl ester

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2-Phenylthio-4-pentynoic acid, methyl ester
SpectraBase Compound ID 7883cqJ30bJ
InChI InChI=1S/C14H20OSSi/c1-17(2,3)11-7-10-14(12-15)16-13-8-5-4-6-9-13/h4-6,8-9,14-15H,10,12H2,1-3H3
InChIKey CYWXCLQIYJGIAJ-UHFFFAOYSA-N
Mol Weight 264.46 g/mol
Molecular Formula C14H20OSSi
Exact Mass 264.100413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JICVQdGyl93
Name 2-Phenylthio-4-pentynoic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H20OSSi
InChI InChI=1S/C14H20OSSi/c1-17(2,3)11-7-10-14(12-15)16-13-8-5-4-6-9-13/h4-6,8-9,14-15H,10,12H2,1-3H3
InChIKey CYWXCLQIYJGIAJ-UHFFFAOYSA-N
Literature Reference W.D. Wulff, J.S. McCallum, F.A.Kunng, J. Am. Chem. Soc. 110, 7419 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3