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ETHYL-(5R,1'R,4'R)-4,5-DIHYDRO-4-(PARA-METHYLPHENYL)-SPIRO-[1,3,4-THIADIAZOLE-5,2'-CAMPHANE]-2-CARBOXYLATE
SpectraBase Compound ID 2kexkQRKBoq
InChI InChI=1S/C21H28N2O2S/c1-6-25-18(24)17-22-23(16-9-7-14(2)8-10-16)21(26-17)13-15-11-12-20(21,5)19(15,3)4/h7-10,15H,6,11-13H2,1-5H3/t15-,20+,21-/m1/s1
InChIKey MCSOVDDSQVTCNS-GQWLDOHISA-N
Mol Weight 372.53 g/mol
Molecular Formula C21H28N2O2S
Exact Mass 372.187149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iqvx1IpLdLI
Name ETHYL-(5R,1'R,4'R)-4,5-DIHYDRO-4-(PARA-METHYLPHENYL)-SPIRO-[1,3,4-THIADIAZOLE-5,2'-CAMPHANE]-2-CARBOXYLATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N2O2S
InChI InChI=1S/C21H28N2O2S/c1-6-25-18(24)17-22-23(16-9-7-14(2)8-10-16)21(26-17)13-15-11-12-20(21,5)19(15,3)4/h7-10,15H,6,11-13H2,1-5H3/t15-,20+,21-/m1/s1
InChIKey MCSOVDDSQVTCNS-GQWLDOHISA-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 372.526 g/mol
Solvent CDCl3
Source File Reference UWLU22467