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ethyl {[(5E)-5-(4-chlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]sulfanyl}acetate
SpectraBase Compound ID KeQTpXm9YOd
InChI InChI=1S/C14H12ClNO3S2/c1-2-19-12(17)8-20-14-16-13(18)11(21-14)7-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3/b11-7+
InChIKey ZAKMNXNKYSLRSY-YRNVUSSQSA-N
Mol Weight 341.83 g/mol
Molecular Formula C14H12ClNO3S2
Exact Mass 340.994713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pOnQpvHZQa
Name Ethyl {[(5E)-5-(4-chlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]sulfanyl}acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.994713295 u
Formula C14H12ClNO3S2
InChI InChI=1S/C14H12ClNO3S2/c1-2-19-12(17)8-20-14-16-13(18)11(21-14)7-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3/b11-7+
InChIKey ZAKMNXNKYSLRSY-YRNVUSSQSA-N
Molecular Weight 341.827 g/mol
SMILES CCOC(CSC1=NC(\C(=C/C=2C=CC(=CC2)Cl)S1)=O)=O