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ETHYL-2-{[4,5-DIHYDRO-4,4-DIMETHYL-2-PHENYL-5-(PHENYLMETHYLTHIO)-1,3-THIAZOL-5-YL]-THIO}-ACETATE
SpectraBase Compound ID 2Z4WHfJY9rG
InChI InChI=1S/C22H25NO2S3/c1-4-25-19(24)16-27-22(26-15-17-11-7-5-8-12-17)21(2,3)23-20(28-22)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3/t22-/m0/s1
InChIKey HNFKNJOFGKYMMR-QFIPXVFZSA-N
Mol Weight 431.63 g/mol
Molecular Formula C22H25NO2S3
Exact Mass 431.104743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ga5MtlWmdCq
Name ETHYL-2-{[4,5-DIHYDRO-4,4-DIMETHYL-2-PHENYL-5-(PHENYLMETHYLTHIO)-1,3-THIAZOL-5-YL]-THIO}-ACETATE
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25NO2S3
InChI InChI=1S/C22H25NO2S3/c1-4-25-19(24)16-27-22(26-15-17-11-7-5-8-12-17)21(2,3)23-20(28-22)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3/t22-/m0/s1
InChIKey HNFKNJOFGKYMMR-QFIPXVFZSA-N
Literature Reference Author M.KAEGI,G.MLOSTON,A.LINDEN,H.HEIMGARTNER
Literature Reference Citation HELV.CHIM.ACTA,77,1299(1994)
Literature Reference DOI 10.1002/hlca.19940770512
Molecular Weight 431.626 g/mol
Solvent Unknown
Source File Reference UWRK2290