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2-[(3-formyl-4-keto-6-phenyl-5,6-dihydrothiopyran-2-yl)thio]acetic acid ethyl ester
SpectraBase Compound ID GhrG0RyKD1A
InChI InChI=1S/C16H16O4S2/c1-2-20-15(19)10-21-16-12(9-17)13(18)8-14(22-16)11-6-4-3-5-7-11/h3-7,9,14H,2,8,10H2,1H3
InChIKey QPOIKAIXCALYLD-UHFFFAOYSA-N
Mol Weight 336.42 g/mol
Molecular Formula C16H16O4S2
Exact Mass 336.049001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HyNJ2MmODR
Name 2-[(3-formyl-4-keto-6-phenyl-5,6-dihydrothiopyran-2-yl)thio]acetic acid ethyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16O4S2
InChI InChI=1S/C16H16O4S2/c1-2-20-15(19)10-21-16-12(9-17)13(18)8-14(22-16)11-6-4-3-5-7-11/h3-7,9,14H,2,8,10H2,1H3
InChIKey QPOIKAIXCALYLD-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 336.421 g/mol
Source File Reference MHKO7207