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5-[[4-[2-(5-Chloro-1-indolyl)ethoxy]phenyl]methylene]thiazolidine-2,4-dione
SpectraBase Compound ID HthISDULfVA
InChI InChI=1S/C20H15ClN2O3S/c21-15-3-6-17-14(12-15)7-8-23(17)9-10-26-16-4-1-13(2-5-16)11-18-19(24)22-20(25)27-18/h1-8,11-12H,9-10H2,(H,22,24,25)/b18-11+
InChIKey GTLCNUFBLWXPOK-WOJGMQOQSA-N
Mol Weight 398.86 g/mol
Molecular Formula C20H15ClN2O3S
Exact Mass 398.049191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30W00Xyr3Fp
Name 5-[[4-[2-(5-Chloro-1-indolyl)ethoxy]phenyl]methylene]thiazolidine-2,4-dione
Comments Computed using HOSE algorithm
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Exact Mass 398.049191222 u
Formula C20H15ClN2O3S
InChI InChI=1S/C20H15ClN2O3S/c21-15-3-6-17-14(12-15)7-8-23(17)9-10-26-16-4-1-13(2-5-16)11-18-19(24)22-20(25)27-18/h1-8,11-12H,9-10H2,(H,22,24,25)/b18-11+
InChIKey GTLCNUFBLWXPOK-WOJGMQOQSA-N
Molecular Weight 398.864 g/mol
SMILES C1(S\C(C(N1)=O)=C/C=1C=CC(=CC1)OCCN1C=CC=2C=C(C=CC12)Cl)=O