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3-thiazolidinebutanamide, N-(2-bromophenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
SpectraBase Compound ID KhLErqRTWfm
InChI InChI=1S/C18H15BrN2O2S3/c19-13-6-1-2-7-14(13)20-16(22)8-3-9-21-17(23)15(26-18(21)24)11-12-5-4-10-25-12/h1-2,4-7,10-11H,3,8-9H2,(H,20,22)/b15-11+
InChIKey FTSWBOBKRIYHCX-RVDMUPIBSA-N
Mol Weight 467.41 g/mol
Molecular Formula C18H15BrN2O2S3
Exact Mass 465.947904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3y2w2SUKi3W
Name 3-Thiazolidinebutanamide, N-(2-bromophenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.947904251 u
Formula C18H15BrN2O2S3
InChI InChI=1S/C18H15BrN2O2S3/c19-13-6-1-2-7-14(13)20-16(22)8-3-9-21-17(23)15(26-18(21)24)11-12-5-4-10-25-12/h1-2,4-7,10-11H,3,8-9H2,(H,20,22)/b15-11+
InChIKey FTSWBOBKRIYHCX-RVDMUPIBSA-N
Molecular Weight 467.414 g/mol
SMILES N(C(CCCN1C(S\C(C1=O)=C/C=1SC=CC1)=S)=O)C1=C(Br)C=CC=C1