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2-Acetoxy-3-(4'-methoxy)-phenylthio-1,3-butadiene
SpectraBase Compound ID KWJ9h9x3kiq
InChI InChI=1S/C13H14O3S/c1-9(16-11(3)14)10(2)17-13-7-5-12(15-4)6-8-13/h5-8H,1-2H2,3-4H3
InChIKey ZCWHZLCFWBMZLG-UHFFFAOYSA-N
Mol Weight 250.31 g/mol
Molecular Formula C13H14O3S
Exact Mass 250.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HghRKtyg200
Name 2-Acetoxy-3-(4'-methoxy)-phenylthio-1,3-butadiene
CAS Registry Number 65174-13-2
Comments REASSIGNED, SHIFTVALUE FROM C13 AT 53.20 IS CHANGED TO 55.20 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-9(16-11(3)14)10(2)17-13-7-5-12(15-4)6-8-13/h5-8H,1-2H2,3-4H3
InChIKey ZCWHZLCFWBMZLG-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference B.M. Trost, J. Ippen, W.C. Valduchick, J. Am. Chem. Soc. 99, 8117 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported