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6-[(5Z)-5-(2-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
SpectraBase Compound ID DmeklGfoayi
InChI InChI=1S/C17H19NO5S2/c1-23-12-7-5-6-11(15(12)21)10-13-16(22)18(17(24)25-13)9-4-2-3-8-14(19)20/h5-7,10,21H,2-4,8-9H2,1H3,(H,19,20)/b13-10-
InChIKey JWGRPVVOMKLPMC-RAXLEYEMSA-N
Mol Weight 381.46 g/mol
Molecular Formula C17H19NO5S2
Exact Mass 381.070465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6jh3jUr3u6
Name 6-[(5Z)-5-(2-Hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.070465059 u
Formula C17H19NO5S2
InChI InChI=1S/C17H19NO5S2/c1-23-12-7-5-6-11(15(12)21)10-13-16(22)18(17(24)25-13)9-4-2-3-8-14(19)20/h5-7,10,21H,2-4,8-9H2,1H3,(H,19,20)/b13-10-
InChIKey JWGRPVVOMKLPMC-RAXLEYEMSA-N
Molecular Weight 381.461 g/mol
SMILES OC(CCCCCN1C(\C(=C\C2=C(C(=CC=C2)OC)O)SC1=S)=O)=O