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CIS-(+/-)-1,1-DIFLUORO-3-(ETHOXYCARBONYL)-2-(4-METHOXYPHENYLAMINO)-1-CYCLOHEXANE
SpectraBase Compound ID 3klQ1KchZNQ
InChI InChI=1S/C16H21F2NO3/c1-3-22-15(20)13-5-4-10-16(17,18)14(13)19-11-6-8-12(21-2)9-7-11/h6-9,13-14,19H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKey ATNPHJZXMMMXAU-KBPBESRZSA-N
Mol Weight 313.34 g/mol
Molecular Formula C16H21F2NO3
Exact Mass 313.14895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ffv6IUdYKl2
Name CIS-(+/-)-1,1-DIFLUORO-3-(ETHOXYCARBONYL)-2-(4-METHOXYPHENYLAMINO)-1-CYCLOHEXANE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21F2NO3
InChI InChI=1S/C16H21F2NO3/c1-3-22-15(20)13-5-4-10-16(17,18)14(13)19-11-6-8-12(21-2)9-7-11/h6-9,13-14,19H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKey ATNPHJZXMMMXAU-KBPBESRZSA-N
Literature Reference Author S.FUSTERO,M.SANCHEZ-ROSELLO,J.F.SANZ-CERVERA,J.L.ACENA,C.D.P OZO,B.FERNANDEZ,A.BA
Literature Reference Citation ORG.LETTERS,8,4633(2006)
Literature Reference DOI 10.1021/ol061892w
Molecular Weight 313.344 g/mol
Sample ID 61693
Solvent CDCl3