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Heptanamide, 6-[[2-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]amino]-N-[4-(trifluoromethyl)phenyl]-, [R-(R*,S*)]-
SpectraBase Compound ID 2JJXmWnfFnF
InChI InChI=1S/C36H39F3N2O4/c1-26(10-8-9-15-35(43)41-31-19-17-30(18-20-31)36(37,38)39)40-23-32(42)29-16-21-33(44-24-27-11-4-2-5-12-27)34(22-29)45-25-28-13-6-3-7-14-28/h2-7,11-14,16-22,26,32,40,42H,8-10,15,23-25H2,1H3,(H,41,43)/t26-,32-/m0/s1
InChIKey HZHYUVWMZOPUKB-IEWVHIKDSA-N
Mol Weight 620.7 g/mol
Molecular Formula C36H39F3N2O4
Exact Mass 620.286192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YFDcUDzcxa
Name Heptanamide, 6-[[2-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]amino]-N-[4-(trifluoromethyl)phenyl]-, [R-(R*,S*)]-
CAS Registry Number 119128-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H39F3N2O4
InChI InChI=1S/C36H39F3N2O4/c1-26(10-8-9-15-35(43)41-31-19-17-30(18-20-31)36(37,38)39)40-23-32(42)29-16-21-33(44-24-27-11-4-2-5-12-27)34(22-29)45-25-28-13-6-3-7-14-28/h2-7,11-14,16-22,26,32,40,42H,8-10,15,23-25H2,1H3,(H,41,43)/t26-,32-/m0/s1
InChIKey HZHYUVWMZOPUKB-IEWVHIKDSA-N
Molecular Weight 620.713 g/mol
SMILES N(C(CCCC[C@@](NC[C@@](c1cc(OCc2ccccc2)c(cc1)OCc1ccccc1)(O)[H])(C)[H])=O)c1ccc(C(F)(F)F)cc1
SPLASH splash10-0f6x-9005000000-bb73011c8429980ace54
Source of Spectrum H-71-333-0
Synonyms (6S)-6-({(2R)-2-[3,4-bis(benzyloxy)phenyl]-2-hydroxyethyl}amino)-N-[4-(trifluoromethyl)phenyl]heptanamide (R)-6-{(S)-(2-[3,4-[bis(benzyloxy)phenyl-2-hydroxyethyl]amino-N-[4-(trifluoromethyl)phenyl]heptanamide
Wiley ID 1411557