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methyl {(5E)-2,4-dioxo-5-[(1-phenyl-1H-pyrrol-2-yl)methylene]-1,3-thiazolidin-3-yl}acetate
SpectraBase Compound ID 2J6ZPMbTXRH
InChI InChI=1S/C17H14N2O4S/c1-23-15(20)11-19-16(21)14(24-17(19)22)10-13-8-5-9-18(13)12-6-3-2-4-7-12/h2-10H,11H2,1H3/b14-10+
InChIKey KVJFQHKYURQSQD-GXDHUFHOSA-N
Mol Weight 342.37 g/mol
Molecular Formula C17H14N2O4S
Exact Mass 342.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HR4Kai3egz
Name Methyl {(5E)-2,4-dioxo-5-[(1-phenyl-1H-pyrrol-2-yl)methylene]-1,3-thiazolidin-3-yl}acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.067428109 u
Formula C17H14N2O4S
InChI InChI=1S/C17H14N2O4S/c1-23-15(20)11-19-16(21)14(24-17(19)22)10-13-8-5-9-18(13)12-6-3-2-4-7-12/h2-10H,11H2,1H3/b14-10+
InChIKey KVJFQHKYURQSQD-GXDHUFHOSA-N
Molecular Weight 342.369 g/mol
SMILES C=1C=CC(N2C(\C=C/3C(N(C(S3)=O)CC(=O)OC)=O)=CC=C2)=CC1