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3-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid

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3-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
SpectraBase Compound ID DRh7GM0F4qh
InChI InChI=1S/C14H13NO6S/c1-21-10-6-8(2-3-9(10)16)7-11-13(19)15(14(20)22-11)5-4-12(17)18/h2-3,6-7,16H,4-5H2,1H3,(H,17,18)/b11-7-
InChIKey LEBNVSHADGGORE-XFFZJAGNSA-N
Mol Weight 323.32 g/mol
Molecular Formula C14H13NO6S
Exact Mass 323.046358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IV7wDALvc0O
Name 3-[(5Z)-5-(4-Hydroxy-3-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.046358311 u
Formula C14H13NO6S
InChI InChI=1S/C14H13NO6S/c1-21-10-6-8(2-3-9(10)16)7-11-13(19)15(14(20)22-11)5-4-12(17)18/h2-3,6-7,16H,4-5H2,1H3,(H,17,18)/b11-7-
InChIKey LEBNVSHADGGORE-XFFZJAGNSA-N
SMILES OC(CCN1C(\C(=C\C2=CC=C(C(=C2)OC)O)SC1=O)=O)=O