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5-[4-[N-(5-Hydroxy-2,4,6,7-tetrametylbenzofuran-3-ylmethyl]-(2S)-pyrrolidin-2-ylmethoxy]phenylmethylene]thiazolidine-2,4-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-[4-[N-(5-Hydroxy-2,4,6,7-tetrametylbenzofuran-3-ylmethyl]-(2S)-pyrrolidin-2-ylmethoxy]phenylmethylene]thiazolidine-2,4-dione
SpectraBase Compound ID 61k2dJegP2S
InChI InChI=1S/C28H30N2O5S/c1-15-16(2)26-24(17(3)25(15)31)22(18(4)35-26)13-30-11-5-6-20(30)14-34-21-9-7-19(8-10-21)12-23-27(32)29-28(33)36-23/h7-10,12,20,31H,5-6,11,13-14H2,1-4H3,(H,29,32,33)/b23-12-/t20-/m0/s1
InChIKey GQFJTMNFEFBMGE-BIFQTZPZSA-N
Mol Weight 506.62 g/mol
Molecular Formula C28H30N2O5S
Exact Mass 506.187543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9E0DdYYrwn
Name 5-[4-[N-(5-Hydroxy-2,4,6,7-tetrametylbenzofuran-3-ylmethyl]-(2S)-pyrrolidin-2-ylmethoxy]phenylmethylene]thiazolidine-2,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.187543243 u
Formula C28H30N2O5S
InChI InChI=1S/C28H30N2O5S/c1-15-16(2)26-24(17(3)25(15)31)22(18(4)35-26)13-30-11-5-6-20(30)14-34-21-9-7-19(8-10-21)12-23-27(32)29-28(33)36-23/h7-10,12,20,31H,5-6,11,13-14H2,1-4H3,(H,29,32,33)/b23-12-/t20-/m0/s1
InChIKey GQFJTMNFEFBMGE-BIFQTZPZSA-N
Molecular Weight 506.617 g/mol
SMILES C=1(C=2C(=C(C)C(=C(C2C)O)C)OC1C)CN1[C@](COC2=CC=C(\C=C\3C(NC(S3)=O)=O)C=C2)(CCC1)[H]