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(2E,7S)-7-HYDROXY-4,4-TRIMETHYLENEDITHIO-2-OCTENOIC-ACID-ETHYLESTER

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(2E,7S)-7-HYDROXY-4,4-TRIMETHYLENEDITHIO-2-OCTENOIC-ACID-ETHYLESTER
SpectraBase Compound ID DyXsZwLivNG
InChI InChI=1S/C13H22O3S2/c1-3-16-12(15)6-8-13(7-5-11(2)14)17-9-4-10-18-13/h6,8,11,14H,3-5,7,9-10H2,1-2H3/b8-6+/t11-/m1/s1
InChIKey ILZMXAFHDFEALY-LXSSAFMLSA-N
Mol Weight 290.44 g/mol
Molecular Formula C13H22O3S2
Exact Mass 290.101037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HJVg0rB2OwL
Name (2E,7S)-7-HYDROXY-4,4-TRIMETHYLENEDITHIO-2-OCTENOIC-ACID-ETHYLESTER
Compound Number 10H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O3S2
InChI InChI=1S/C13H22O3S2/c1-3-16-12(15)6-8-13(7-5-11(2)14)17-9-4-10-18-13/h6,8,11,14H,3-5,7,9-10H2,1-2H3/b8-6+/t11-/m1/s1
InChIKey ILZMXAFHDFEALY-LXSSAFMLSA-N
Literature Reference Author B.SEURING,D.SEEBACH
Literature Reference Citation LIEB.ANN.CHEM.,2044(1978)
Molecular Weight 290.436 g/mol
Solvent CDCl3
Source File Reference UWCS11519