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5-Oxo-5,9,10-trithia-trans-7,12-tridecadienoic acid, ethyl ester

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5-Oxo-5,9,10-trithia-trans-7,12-tridecadienoic acid, ethyl ester
SpectraBase Compound ID 3VfNpl811hd
InChI InChI=1S/C12H20O3S3/c1-3-8-16-17-9-6-11-18(14)10-5-7-12(13)15-4-2/h3,6,9H,1,4-5,7-8,10-11H2,2H3/b9-6+
InChIKey WNLKSAHTELJJAK-RMKNXTFCSA-N
Mol Weight 308.47 g/mol
Molecular Formula C12H20O3S3
Exact Mass 308.057458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lc107ENvFkn
Name 5-Oxo-5,9,10-trithia-trans-7,12-tridecadienoic acid, ethyl ester
CAS Registry Number 104228-68-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O3S3
InChI InChI=1S/C12H20O3S3/c1-3-8-16-17-9-6-11-18(14)10-5-7-12(13)15-4-2/h3,6,9H,1,4-5,7-8,10-11H2,2H3/b9-6+
InChIKey WNLKSAHTELJJAK-RMKNXTFCSA-N
Instrument Name Bruker WH-90
Literature Reference E. Block, S. Ahmad, J.L. Catalfamo, J. Am. Chem. Soc. 108, 7045 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3