For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzeneacetamide, .alpha.-methoxy-N-[1-methyl-6-oxo-6-[[4-(trifluoromethyl)phenyl]amino]hexyl]-.alpha.-(trifluoromethyl)-, [R-(R*,R*)]-
SpectraBase Compound ID H47qywFuRtk
InChI InChI=1S/C24H26F6N2O3/c1-16(31-21(34)22(35-2,24(28,29)30)17-9-4-3-5-10-17)8-6-7-11-20(33)32-19-14-12-18(13-15-19)23(25,26)27/h3-5,9-10,12-16H,6-8,11H2,1-2H3,(H,31,34)(H,32,33)/t16-,22-/m1/s1
InChIKey LWARDDKVCFKBPP-OPAMFIHVSA-N
Mol Weight 504.47 g/mol
Molecular Formula C24H26F6N2O3
Exact Mass 504.184762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IH7PWblv1tw
Name Benzeneacetamide, .alpha.-methoxy-N-[1-methyl-6-oxo-6-[[4-(trifluoromethyl)phenyl]amino]hexyl]-.alpha.-(trifluoromethyl)-, [R-(R*,R*)]-
CAS Registry Number 118958-98-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26F6N2O3
InChI InChI=1S/C24H26F6N2O3/c1-16(31-21(34)22(35-2,24(28,29)30)17-9-4-3-5-10-17)8-6-7-11-20(33)32-19-14-12-18(13-15-19)23(25,26)27/h3-5,9-10,12-16H,6-8,11H2,1-2H3,(H,31,34)(H,32,33)/t16-,22-/m1/s1
InChIKey LWARDDKVCFKBPP-OPAMFIHVSA-N
Molecular Weight 504.473 g/mol
SMILES N(C([C@@](C(F)(F)F)(c1ccccc1)OC)=O)[C@@](CCCCC(Nc1ccc(C(F)(F)F)cc1)=O)(C)[H]
SPLASH splash10-00di-0090000000-4e50ac8d87fdfdfc0869
Source of Spectrum H-71-332-28
Synonyms (6R)-6-{[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino}-N-[4-(trifluoromethyl)phenyl]heptanamide (R)-6-[(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropionamido-N-[4-(trifluoromethyl)phenyl]heptanamide
Wiley ID 1399473