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Heptanamide, 6-[(1-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]-, [R-(R*,R*)]-
SpectraBase Compound ID JnXPDMJx4mZ
InChI InChI=1S/C22H27F3N2O/c1-16(26-17(2)18-9-4-3-5-10-18)8-6-7-11-21(28)27-20-14-12-19(13-15-20)22(23,24)25/h3-5,9-10,12-17,26H,6-8,11H2,1-2H3,(H,27,28)/t16-,17-/m1/s1
InChIKey TTYBPHQNYGNILR-IAGOWNOFSA-N
Mol Weight 392.47 g/mol
Molecular Formula C22H27F3N2O
Exact Mass 392.207548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4J1RwfJXqKU
Name Heptanamide, 6-[(1-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]-, [R-(R*,R*)]-
CAS Registry Number 118958-95-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27F3N2O
InChI InChI=1S/C22H27F3N2O/c1-16(26-17(2)18-9-4-3-5-10-18)8-6-7-11-21(28)27-20-14-12-19(13-15-20)22(23,24)25/h3-5,9-10,12-17,26H,6-8,11H2,1-2H3,(H,27,28)/t16-,17-/m1/s1
InChIKey TTYBPHQNYGNILR-IAGOWNOFSA-N
Molecular Weight 392.466 g/mol
SMILES N(C(CCCC[C@](N[C@@](c1ccccc1)(C)[H])(C)[H])=O)c1ccc(C(F)(F)F)cc1
SPLASH splash10-0a4j-0901000000-983c00a944fdd080d57c
Source of Spectrum H-71-331-26
Synonyms (6R)-6-{[(1R)-1-phenylethyl]amino}-N-[4-(trifluoromethyl)phenyl]heptanamide (R)-6-[(R)-.alpha.(methylbenzyl)amino]-N-[4-(trifluoromethyl)phenyl]heptanamide
Wiley ID 1365823