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4-thiazolidinone, 5-[[5-(3-chlorophenyl)-2-furanyl]methylene]-3-(1-phenylethyl)-2-thioxo-, (5E)-
SpectraBase Compound ID 4b9o0mu4zm4
InChI InChI=1S/C22H16ClNO2S2/c1-14(15-6-3-2-4-7-15)24-21(25)20(28-22(24)27)13-18-10-11-19(26-18)16-8-5-9-17(23)12-16/h2-14H,1H3/b20-13+
InChIKey RZMQMXVDUGDQLT-DEDYPNTBSA-N
Mol Weight 425.95 g/mol
Molecular Formula C22H16ClNO2S2
Exact Mass 425.031099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SLVFCqZnX5
Name 4-Thiazolidinone, 5-[[5-(3-chlorophenyl)-2-furanyl]methylene]-3-(1-phenylethyl)-2-thioxo-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.031098805 u
Formula C22H16ClNO2S2
InChI InChI=1S/C22H16ClNO2S2/c1-14(15-6-3-2-4-7-15)24-21(25)20(28-22(24)27)13-18-10-11-19(26-18)16-8-5-9-17(23)12-16/h2-14H,1H3/b20-13+
InChIKey RZMQMXVDUGDQLT-DEDYPNTBSA-N
Molecular Weight 425.948 g/mol
SMILES C=1C=CC(C(N2C(S\C(C2=O)=C/C=2OC(C3=CC(Cl)=CC=C3)=CC2)=S)C)=CC1