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ENDO-3-(2'-NITRO-4'-METHYL-1'-PHENYLTHIO)-1-(1'-CHLOROETHYL)-TRICYCLO-[2.2.1.0(2,6)]-HEPTANE;(DIASTEREOMER-1)
SpectraBase Compound ID 3AThC0SIzeg
InChI InChI=1S/C16H18ClNO2S/c1-8-3-4-13(12(5-8)18(19)20)21-15-10-6-11-14(15)16(11,7-10)9(2)17/h3-5,9-11,14-15H,6-7H2,1-2H3/t9?,10-,11-,14-,15-,16+/m1/s1
InChIKey ZSDXSIILXFFVGE-MLVUJVEKSA-N
Mol Weight 323.84 g/mol
Molecular Formula C16H18ClNO2S
Exact Mass 323.074678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Fsg1owP5Iv
Name ENDO-3-(2'-NITRO-4'-METHYL-1'-PHENYLTHIO)-1-(1'-CHLOROETHYL)-TRICYCLO-[2.2.1.0(2,6)]-HEPTANE;(DIASTEREOMER-2)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18ClNO2S
InChI InChI=1S/C16H18ClNO2S/c1-8-3-4-13(12(5-8)18(19)20)21-15-10-6-11-14(15)16(11,7-10)9(2)17/h3-5,9-11,14-15H,6-7H2,1-2H3/t9?,10-,11-,14-,15-,16+/m1/s1
InChIKey ZSDXSIILXFFVGE-MLVUJVEKSA-N
Literature Reference Author D.G.GARRATT,P.L.BEAULIEU,V.M.MORISSET
Literature Reference Citation CAN.J.CHEM.,58,1021(1980)
Literature Reference DOI 10.1139/v80-160
Molecular Weight 323.837 g/mol
Solvent CDCl3
Source File Reference UWED956