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ETHYL-2-{{4-{[(ETHOXYCARBONYL)-METHYL]-THIO}-2-PHENYL-3-THIA-1-AZASPIRO-[4.4]-NON-1-EN-4-YL}-THIO}-ACETATE
SpectraBase Compound ID Ce2S4Jwbb93
InChI InChI=1S/C21H27NO4S3/c1-3-25-17(23)14-27-21(28-15-18(24)26-4-2)20(12-8-9-13-20)22-19(29-21)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKey NZODDEAUUUPHJD-UHFFFAOYSA-N
Mol Weight 453.63 g/mol
Molecular Formula C21H27NO4S3
Exact Mass 453.110222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CfpkLuYXlXx
Name ETHYL-2-{{4-{[(ETHOXYCARBONYL)-METHYL]-THIO}-2-PHENYL-3-THIA-1-AZASPIRO-[4.4]-NON-1-EN-4-YL}-THIO}-ACETATE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27NO4S3
InChI InChI=1S/C21H27NO4S3/c1-3-25-17(23)14-27-21(28-15-18(24)26-4-2)20(12-8-9-13-20)22-19(29-21)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKey NZODDEAUUUPHJD-UHFFFAOYSA-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 453.630 g/mol
Solvent Unknown
Source File Reference UWRK2283