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ETHYL-(5R,1'R,4'R)-4,5-DIHYDRO-4-(PARA-NITROPHENYL)-SPIRO-[1,3,4-THIADIAZOLE-5,2'-CAMPHANE]-2-CARBOXYLATE
SpectraBase Compound ID KhPNxAjFrnG
InChI InChI=1S/C20H25N3O4S/c1-5-27-17(24)16-21-22(14-6-8-15(9-7-14)23(25)26)20(28-16)12-13-10-11-19(20,4)18(13,2)3/h6-9,13H,5,10-12H2,1-4H3/t13-,19+,20-/m1/s1
InChIKey XEBFRMKMLQQHDF-CAYVGHNUSA-N
Mol Weight 403.5 g/mol
Molecular Formula C20H25N3O4S
Exact Mass 403.156577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YeIVmgQ9RG
Name ETHYL-(5R,1'R,4'R)-4,5-DIHYDRO-4-(PARA-NITROPHENYL)-SPIRO-[1,3,4-THIADIAZOLE-5,2'-CAMPHANE]-2-CARBOXYLATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25N3O4S
InChI InChI=1S/C20H25N3O4S/c1-5-27-17(24)16-21-22(14-6-8-15(9-7-14)23(25)26)20(28-16)12-13-10-11-19(20,4)18(13,2)3/h6-9,13H,5,10-12H2,1-4H3/t13-,19+,20-/m1/s1
InChIKey XEBFRMKMLQQHDF-CAYVGHNUSA-N
Literature Reference Author A.FEDDOULI,M.Y.A.ITTO,A.HASNAOUI,D.VILLEMIN,P.A.JAFFRES,J.S. D.O.SANTOS,A.RIAHI,
Literature Reference Citation J.HETCYCL.CHEM.,41,731(2004)
Literature Reference DOI 10.1002/jhet.5570410513
Molecular Weight 403.496 g/mol
Solvent CDCl3
Source File Reference UWLU22468