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(+/-)-BENZYL-6,6-DIFLUORO-1-[(4-METHOXYPHENYL)-AMINO]-3-METHYL-3-CYCLOHEXENE-1-CARBOXYLATE
SpectraBase Compound ID KMVvtTuyiBB
InChI InChI=1S/C22H23F2NO3/c1-16-12-13-22(23,24)21(14-16,25-18-8-10-19(27-2)11-9-18)20(26)28-15-17-6-4-3-5-7-17/h3-12,25H,13-15H2,1-2H3/t21-/m0/s1
InChIKey ACQWVIQHSYWZAL-NRFANRHFSA-N
Mol Weight 387.43 g/mol
Molecular Formula C22H23F2NO3
Exact Mass 387.1646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gzv5pXdCnEf
Name (+/-)-BENZYL-6,6-DIFLUORO-1-[(4-METHOXYPHENYL)-AMINO]-3-METHYL-3-CYCLOHEXENE-1-CARBOXYLATE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23F2NO3
InChI InChI=1S/C22H23F2NO3/c1-16-12-13-22(23,24)21(14-16,25-18-8-10-19(27-2)11-9-18)20(26)28-15-17-6-4-3-5-7-17/h3-12,25H,13-15H2,1-2H3/t21-/m0/s1
InChIKey ACQWVIQHSYWZAL-NRFANRHFSA-N
Literature Reference Author S.FUSTERO,M.SANCHEZ-ROSELLO,V.RODRIGO,C.D.POZO,J.F.SANZ-CERV ERA,A.SIMON
Literature Reference Citation ORG.LETTERS,8,4129(2006)
Literature Reference DOI 10.1021/ol061733c
Molecular Weight 387.426 g/mol
Sample ID 61367
Solvent CDCl3