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3-(Benencarboxyl),5-(4'-methylbenzilidene)thiazolidine-4-on-2-thione

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3-(Benencarboxyl),5-(4'-methylbenzilidene)thiazolidine-4-on-2-thione
SpectraBase Compound ID 4mvpf8vSN9h
InChI InChI=1S/C18H13NO2S2/c1-12-7-9-13(10-8-12)11-15-17(21)19(18(22)23-15)16(20)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+
InChIKey ANVDJVHITRMCAJ-RVDMUPIBSA-N
Mol Weight 339.43 g/mol
Molecular Formula C18H13NO2S2
Exact Mass 339.038771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2E4dIAvBzvx
Name 3-(Benencarboxyl),5-(4'-methylbenzilidene)thiazolidine-4-on-2-thione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.038771009 u
Formula C18H13NO2S2
InChI InChI=1S/C18H13NO2S2/c1-12-7-9-13(10-8-12)11-15-17(21)19(18(22)23-15)16(20)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+
InChIKey ANVDJVHITRMCAJ-RVDMUPIBSA-N
Molecular Weight 339.427 g/mol
SMILES C1(\C(SC(N1C(=O)c1ccccc1)=S)=C/c1ccc(cc1)C)=O