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ETHYL-{10-{[(ETHOXYCARBONYL)-METHYL]-THIO}-7-PHENYL-8-THIA-6-AZASPIRO-[4.5]-DECA-6,9-DIENE-9-CARBOXYLATE}
SpectraBase Compound ID E252OUU57o4
InChI InChI=1S/C21H25NO4S2/c1-3-25-16(23)14-27-18-17(20(24)26-4-2)28-19(15-10-6-5-7-11-15)22-21(18)12-8-9-13-21/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3
InChIKey SXRABOFNIQGWNA-UHFFFAOYSA-N
Mol Weight 419.55 g/mol
Molecular Formula C21H25NO4S2
Exact Mass 419.122501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86IHNt8fNy5
Name ETHYL-{10-{[(ETHOXYCARBONYL)-METHYL]-THIO}-7-PHENYL-8-THIA-6-AZASPIRO-[4.5]-DECA-6,9-DIENE-9-CARBOXYLATE}
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO4S2
InChI InChI=1S/C21H25NO4S2/c1-3-25-16(23)14-27-18-17(20(24)26-4-2)28-19(15-10-6-5-7-11-15)22-21(18)12-8-9-13-21/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3
InChIKey SXRABOFNIQGWNA-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 419.554 g/mol
Solvent Unknown
Source File Reference UWRK2284