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METHYL-(2E)-3-[4-(1-THIA-4-OXA-3-OXOHEXYL)-PHENYL]-PROP-2-ENOATE
SpectraBase Compound ID 8jf34JAO2Zj
InChI InChI=1S/C14H16O4S/c1-3-18-14(16)10-19-12-7-4-11(5-8-12)6-9-13(15)17-2/h4-9H,3,10H2,1-2H3/b9-6+
InChIKey LMQKAGXCPGTQGU-RMKNXTFCSA-N
Mol Weight 280.34 g/mol
Molecular Formula C14H16O4S
Exact Mass 280.07693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcGjNLeAFHZ
Name METHYL-(2E)-3-[4-(1-THIA-4-OXA-3-OXOHEXYL)-PHENYL]-PROP-2-ENOATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16O4S
InChI InChI=1S/C14H16O4S/c1-3-18-14(16)10-19-12-7-4-11(5-8-12)6-9-13(15)17-2/h4-9H,3,10H2,1-2H3/b9-6+
InChIKey LMQKAGXCPGTQGU-RMKNXTFCSA-N
Literature Reference Author K.EGGERS,T.M.FYLES,P.J.MONTOYA-PELAEZ
Literature Reference Citation J.ORG.CHEM.,66,2966(2001)
Literature Reference DOI 10.1021/jo0056848
Molecular Weight 280.339 g/mol
Solvent CDCl3
Source File Reference UWVN26252