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5-[(2-CHLOROPHENYL)-HYDROXYMETHYL]-5-ETHYLTHIO-4-(PYRROLIDIN-1-YL)-FURAN-2(5H)-ONE;ISOMER-#1
SpectraBase Compound ID 69trYWCPT2Y
InChI InChI=1S/C17H20ClNO3S/c1-2-23-17(16(21)12-7-3-4-8-13(12)18)14(11-15(20)22-17)19-9-5-6-10-19/h3-4,7-8,11,16,21H,2,5-6,9-10H2,1H3
InChIKey GYPIDVHMXIQAPU-UHFFFAOYSA-N
Mol Weight 353.86 g/mol
Molecular Formula C17H20ClNO3S
Exact Mass 353.085242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWOapJmws0P
Name 5-[(2-CHLOROPHENYL)-HYDROXYMETHYL]-5-ETHYLTHIO-4-(PYRROLIDIN-1-YL)-FURAN-2(5H)-ONE;ISOMER-#2
Compound Number 3A2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20ClNO3S
InChI InChI=1S/C17H20ClNO3S/c1-2-23-17(16(21)12-7-3-4-8-13(12)18)14(11-15(20)22-17)19-9-5-6-10-19/h3-4,7-8,11,16,21H,2,5-6,9-10H2,1H3
InChIKey GYPIDVHMXIQAPU-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 353.864 g/mol
Solvent DMSO-D6
Source File Reference UWCS22306