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5-Hydroxybenzyl-5-ethylthio-4-(pyrrolidin-1-yl)furan-2(5H)-one isomer

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5-Hydroxybenzyl-5-ethylthio-4-(pyrrolidin-1-yl)furan-2(5H)-one isomer
SpectraBase Compound ID 6Qwdde0aalL
InChI InChI=1S/C17H21NO3S/c1-2-22-17(12-13-5-7-14(19)8-6-13)15(11-16(20)21-17)18-9-3-4-10-18/h5-8,11,19H,2-4,9-10,12H2,1H3
InChIKey JWNGWCQMOZZISE-UHFFFAOYSA-N
Mol Weight 319.42 g/mol
Molecular Formula C17H21NO3S
Exact Mass 319.124215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3TrpBSOvvZO
Name 5-Hydroxybenzyl-5-ethylthio-4-(pyrrolidin-1-yl)furan-2(5H)-one isomer
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.124214711 u
Formula C17H21NO3S
InChI InChI=1S/C17H21NO3S/c1-2-22-17(12-13-5-7-14(19)8-6-13)15(11-16(20)21-17)18-9-3-4-10-18/h5-8,11,19H,2-4,9-10,12H2,1H3
InChIKey JWNGWCQMOZZISE-UHFFFAOYSA-N
Molecular Weight 319.419 g/mol
SMILES C1(C(=CC(O1)=O)N1CCCC1)(CC=1C=CC(=CC1)O)SCC