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4-Cyano-4-(1-ethoxy-ethylthio)-hepta-1,6-diene

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4-Cyano-4-(1-ethoxy-ethylthio)-hepta-1,6-diene
SpectraBase Compound ID 82VVLftPc0W
InChI InChI=1S/C12H19NOS/c1-5-8-12(10-13,9-6-2)15-11(4)14-7-3/h5-6,11H,1-2,7-9H2,3-4H3
InChIKey KYVAINAXFCSTTF-UHFFFAOYSA-N
Mol Weight 225.35 g/mol
Molecular Formula C12H19NOS
Exact Mass 225.118735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ln1Q1ckVtg
Name 4-Cyano-4-(1-ethoxy-ethylthio)-hepta-1,6-diene
Comments 75 MHz spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H19NOS
InChI InChI=1S/C12H19NOS/c1-5-8-12(10-13,9-6-2)15-11(4)14-7-3/h5-6,11H,1-2,7-9H2,3-4H3
InChIKey KYVAINAXFCSTTF-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference A.C. Gaumont, L. Wazneh, J.M.Denis, Tetrahedron 47, 4927 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3