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(1S*,2R*,4R*,5R*/S*)-1-Isobutoxy-5-[N-(naphthalen-1'-ylmethyl)-4'-(trifluoromethyl)benzylamino]bicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester

View entire compound with spectra: 1 MS (GC)

(1S*,2R*,4R*,5R*/S*)-1-Isobutoxy-5-[N-(naphthalen-1'-ylmethyl)-4'-(trifluoromethyl)benzylamino]bicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID 4ju3TC1uFMl
InChI InChI=1S/C36H44F3NO3/c1-24(2)23-42-35-18-17-27(19-31(35)33(41)43-34(3,4)5)32(20-35)40(21-25-13-15-29(16-14-25)36(37,38)39)22-28-11-8-10-26-9-6-7-12-30(26)28/h6-16,24,27,31-32H,17-23H2,1-5H3/t27-,31+,32?,35+/m1/s1
InChIKey OXGVZOPMEAEQFR-AHSKRQKCSA-N
Mol Weight 595.7 g/mol
Molecular Formula C36H44F3NO3
Exact Mass 595.327329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcsY9LdbEoA
Name (1S*,2R*,4R*,5R*/S*)-1-Isobutoxy-5-[N-(naphthalen-1'-ylmethyl)-4'-(trifluoromethyl)benzylamino]bicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
Alternate Name(s) tert-Butyl (1S,2R,4R)-1-isobutoxy-5-{(1-naphthylmethyl)[4-(trifluoromethyl)benzyl]amino}bicyclo[2.2.2]octane-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44F3NO3
InChI InChI=1S/C36H44F3NO3/c1-24(2)23-42-35-18-17-27(19-31(35)33(41)43-34(3,4)5)32(20-35)40(21-25-13-15-29(16-14-25)36(37,38)39)22-28-11-8-10-26-9-6-7-12-30(26)28/h6-16,24,27,31-32H,17-23H2,1-5H3/t27-,31+,32?,35+/m1/s1
InChIKey OXGVZOPMEAEQFR-AHSKRQKCSA-N
Molecular Weight 595.747 g/mol
SMILES [C@]1([C@]2(CC(N(Cc3c4c(cccc4)ccc3)Cc3ccc(C(F)(F)F)cc3)[C@@](C1)(CC2)[H])OCC(C)C)(C(OC(C)(C)C)=O)[H]
SPLASH splash10-0002-0000090000-e5bad32fea64bb390ccd
Source of Spectrum KC-0-3652-41
Wiley ID 831903