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(+)-(E)-(1'R,2'S,5'R)-8'-PHENYLMENTHYL-6-CHLORO-5,5-DIFLUORO-6-(4-METHOXYPHENYLIMINO)-2-HEXANOATE
SpectraBase Compound ID GW4mKydOXR2
InChI InChI=1S/C29H36ClF2NO3/c1-20-12-17-24(28(2,3)21-9-6-5-7-10-21)25(19-20)36-26(34)11-8-18-29(31,32)27(30)33-22-13-15-23(35-4)16-14-22/h5-7,9-10,13-16,20,24-25H,8,11-12,17-19H2,1-4H3/b33-27-/t20-,24-,25-/m1/s1
InChIKey RRZVLONDSBTOPP-RTUUWILNSA-N
Mol Weight 520.1 g/mol
Molecular Formula C29H36ClF2NO3
Exact Mass 519.235178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMIW00UFkGO
Name (+)-(E)-(1'R,2'S,5'R)-8'-PHENYLMENTHYL-6-CHLORO-5,5-DIFLUORO-6-(4-METHOXYPHENYLIMINO)-2-HEXANOATE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36ClF2NO3
InChI InChI=1S/C29H36ClF2NO3/c1-20-12-17-24(28(2,3)21-9-6-5-7-10-21)25(19-20)36-26(34)11-8-18-29(31,32)27(30)33-22-13-15-23(35-4)16-14-22/h5-7,9-10,13-16,20,24-25H,8,11-12,17-19H2,1-4H3/b33-27-/t20-,24-,25-/m1/s1
InChIKey RRZVLONDSBTOPP-RTUUWILNSA-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 520.060 g/mol
Sample ID 61695
Solvent CDCl3