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(1E,3E)-4-(phenylsulfanyl)-1,3-butadienyl acetate

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(1E,3E)-4-(phenylsulfanyl)-1,3-butadienyl acetate
SpectraBase Compound ID j33O0qHog9
InChI InChI=1S/C12H12O2S/c1-11(13)14-9-5-6-10-15-12-7-3-2-4-8-12/h2-10H,1H3/b9-5+,10-6+
InChIKey VJUCZJTYEUCAJW-NXZHAISVSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rF8Gnupwyt
Name 4-Acetoxy-1-thiophenyl-1,3-butadiene
CAS Registry Number 67700-05-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-11(13)14-9-5-6-10-15-12-7-3-2-4-8-12/h2-10H,1H3/b9-5+,10-6+
InChIKey VJUCZJTYEUCAJW-NXZHAISVSA-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