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

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(2E,7S)-7-HYDROXY-4,4-TRIMETHYLENEDITHIO-2-OCTENOIC-ACID-METHYLESTER
SpectraBase Compound ID 9bZqRs1l0tL
InChI InChI=1S/C12H20O3S2/c1-10(13)4-6-12(7-5-11(14)15-2)16-8-3-9-17-12/h5,7,10,13H,3-4,6,8-9H2,1-2H3/b7-5+/t10-/m1/s1
InChIKey CFRURUUJTSAKLX-BREXMAIKSA-N
Mol Weight 276.41 g/mol
Molecular Formula C12H20O3S2
Exact Mass 276.085387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkmcP80Vfh3
Name (2E,7S)-7-HYDROXY-4,4-TRIMETHYLENEDITHIO-2-OCTENOIC-ACID-METHYLESTER
Compound Number 10G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O3S2
InChI InChI=1S/C12H20O3S2/c1-10(13)4-6-12(7-5-11(14)15-2)16-8-3-9-17-12/h5,7,10,13H,3-4,6,8-9H2,1-2H3/b7-5+/t10-/m1/s1
InChIKey CFRURUUJTSAKLX-BREXMAIKSA-N
Literature Reference Author B.SEURING,D.SEEBACH
Literature Reference Citation LIEB.ANN.CHEM.,2044(1978)
Molecular Weight 276.409 g/mol
Solvent CDCl3
Source File Reference UWCS11518