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METHYL_(E)-7-(3,4-DIHYDRO-4-OXO-2-H-THIOPYRAN-5-YL)-2-HEPTENOATE
SpectraBase Compound ID Lsluiw8UeVn
InChI InChI=1S/C13H18O3S/c1-16-13(15)7-5-3-2-4-6-11-10-17-9-8-12(11)14/h5,7,10H,2-4,6,8-9H2,1H3/b7-5+
InChIKey IURMHPGOOUFVAN-FNORWQNLSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6B1nWpzVehM
Name METHYL_(E)-7-(3,4-DIHYDRO-4-OXO-2-H-THIOPYRAN-5-YL)-2-HEPTENOATE
Compound Number 22B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-16-13(15)7-5-3-2-4-6-11-10-17-9-8-12(11)14/h5,7,10H,2-4,6,8-9H2,1H3/b7-5+
InChIKey IURMHPGOOUFVAN-FNORWQNLSA-N
Literature Reference Author D.E.WARD,T.E.NIXEY,Y.GAI,M.J.HRAPCHAK,M.S.ABAEE
Literature Reference Citation CAN.J.CHEM.,74,1418(1996)
Literature Reference DOI 10.1139/v96-160
Molecular Weight 254.344 g/mol
Solvent CDCl3
Source File Reference UWMZ1539