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(5R,1'R,4'R)-AND-(5S,1'R,4'R)-4,5-DIHYDRO-3-(4''-NITROPHENYL)-SPIRO-[1,4,2-OXATHIAZOLE]-5,2'-CAMPHANE
SpectraBase Compound ID A7aFkCh9Bf5
InChI InChI=1S/2C17H20N2O3S/c2*1-15(2)12-8-9-16(15,3)17(10-12)22-18-14(23-17)11-4-6-13(7-5-11)19(20)21/h2*4-7,12H,8-10H2,1-3H3/t12-,16+,17+;12-,16+,17-/m11/s1
InChIKey LELLURRSIZQRMP-JNJLRHBHSA-N
Mol Weight 664.84 g/mol
Molecular Formula C34H40N4O6S2
Exact Mass 664.238927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnR4MVbk5rT
Name (5R,1'R,4'R)-AND-(5S,1'R,4'R)-4,5-DIHYDRO-3-(4''-NITROPHENYL)-SPIRO-[1,4,2-OXATHIAZOLE]-5,2'-CAMPHANE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H40N4O6S2
InChI InChI=1S/2C17H20N2O3S/c2*1-15(2)12-8-9-16(15,3)17(10-12)22-18-14(23-17)11-4-6-13(7-5-11)19(20)21/h2*4-7,12H,8-10H2,1-3H3/t12-,16+,17+;12-,16+,17-/m11/s1
InChIKey LELLURRSIZQRMP-JNJLRHBHSA-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 664.835 g/mol
Solvent CDCl3
Source File Reference UWLU22471