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5-[(2-CHLOROPHENYL)-HYDROXYMETHYL]-5-ETHYLTHIO-4-METHOXYFURAN-2(5H)-ONE;ISOMER-#1
SpectraBase Compound ID Ad5CXmbJNyq
InChI InChI=1S/C14H15ClO4S/c1-3-20-14(11(18-2)8-12(16)19-14)13(17)9-6-4-5-7-10(9)15/h4-8,13,17H,3H2,1-2H3
InChIKey RZEWGXJSIOHERR-UHFFFAOYSA-N
Mol Weight 314.78 g/mol
Molecular Formula C14H15ClO4S
Exact Mass 314.037958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5uAl2YDVSs
Name 5-[(2-CHLOROPHENYL)-HYDROXYMETHYL]-5-ETHYLTHIO-4-METHOXYFURAN-2(5H)-ONE;ISOMER-#1
Compound Number 3B1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15ClO4S
InChI InChI=1S/C14H15ClO4S/c1-3-20-14(11(18-2)8-12(16)19-14)13(17)9-6-4-5-7-10(9)15/h4-8,13,17H,3H2,1-2H3
InChIKey RZEWGXJSIOHERR-UHFFFAOYSA-N
Literature Reference Author M.R.MARTIN,M.V.MARTIN,A.M.DEGUERENU,J.L.ORTEGO
Literature Reference Citation HETEROCYCLES,43,191(1996)
Literature Reference DOI 10.3987/COM-95-7258
Molecular Weight 314.784 g/mol
Solvent DMSO-D6
Source File Reference UWCS22307