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METHYL-6-[3-(4-AMINOPHENYLTHIO)-BICYClO-[2.2.1]-HEPT-2-YL]-6-OXOHEXANOATE
SpectraBase Compound ID 1hNqXIUPxrC
InChI InChI=1S/C20H27NO3S/c1-24-18(23)5-3-2-4-17(22)19-13-6-7-14(12-13)20(19)25-16-10-8-15(21)9-11-16/h8-11,13-14,19-20H,2-7,12,21H2,1H3/t13-,14+,19+,20-/m0/s1
InChIKey BADDMRBVMWHJOZ-SMHQJORMSA-N
Mol Weight 361.5 g/mol
Molecular Formula C20H27NO3S
Exact Mass 361.171165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZFU22ldUMc
Name METHYL-6-[3-(4-AMINOPHENYLTHIO)-BICYClO-[2.2.1]-HEPT-2-YL]-6-OXOHEXANOATE
Compound Number XXI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27NO3S
InChI InChI=1S/C20H27NO3S/c1-24-18(23)5-3-2-4-17(22)19-13-6-7-14(12-13)20(19)25-16-10-8-15(21)9-11-16/h8-11,13-14,19-20H,2-7,12,21H2,1H3/t13-,14+,19+,20-/m0/s1
InChIKey BADDMRBVMWHJOZ-SMHQJORMSA-N
Literature Reference Author N.F.BONDAR,L.P.ISAENYA,R.V.SKUPSKAYA,F.A.LAKHVICH
Literature Reference Citation RUSS.J.ORG.CHEM.,38,1749(2002)
Literature Reference DOI 10.1023/A:1022559428435
Molecular Weight 361.499 g/mol
Solvent CDCl3
Source File Reference UWMZ9804