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methyl [(5E)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
SpectraBase Compound ID G9TMg8e70ie
InChI InChI=1S/C19H19N3O4S/c1-20(2)13-6-8-14(9-7-13)21-10-4-5-15(21)11-16-18(24)22(19(25)27-16)12-17(23)26-3/h4-11H,12H2,1-3H3/b16-11+
InChIKey PMVZALMGLUNBHV-LFIBNONCSA-N
Mol Weight 385.44 g/mol
Molecular Formula C19H19N3O4S
Exact Mass 385.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3EG3IicqZlv
Name Methyl [(5E)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.109627274 u
Formula C19H19N3O4S
InChI InChI=1S/C19H19N3O4S/c1-20(2)13-6-8-14(9-7-13)21-10-4-5-15(21)11-16-18(24)22(19(25)27-16)12-17(23)26-3/h4-11H,12H2,1-3H3/b16-11+
InChIKey PMVZALMGLUNBHV-LFIBNONCSA-N
Molecular Weight 385.438 g/mol
SMILES COC(CN1C(S\C(C1=O)=C/C=1N(C=2C=CC(=CC2)N(C)C)C=CC1)=O)=O