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(4S,1'S,2'S)-4-(2'-Trifluoroacetylamido-1'-phenylpropyloxy)dodec-1-ene
SpectraBase Compound ID 5pjFmBNOIR5
InChI InChI=1S/C23H34F3NO2/c1-4-6-7-8-9-13-17-20(14-5-2)29-21(19-15-11-10-12-16-19)18(3)27-22(28)23(24,25)26/h5,10-12,15-16,18,20-21H,2,4,6-9,13-14,17H2,1,3H3,(H,27,28)/t18-,20+,21+/m0/s1
InChIKey VQAXCLCEDMBWDV-CEWLAPEOSA-N
Mol Weight 413.5 g/mol
Molecular Formula C23H34F3NO2
Exact Mass 413.254164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hWDTZpaSUt
Name (4S,1'S,2'S)-4-(2'-Trifluoroacetylamido-1'-phenylpropyloxy)dodec-1-ene
Alternate Name(s) 2,2,2-trifluoro-N-((1S,2S)-1-methyl-2-{[(1S)-1-octyl-3-butenyl]oxy}-2-phenylethyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34F3NO2
InChI InChI=1S/C23H34F3NO2/c1-4-6-7-8-9-13-17-20(14-5-2)29-21(19-15-11-10-12-16-19)18(3)27-22(28)23(24,25)26/h5,10-12,15-16,18,20-21H,2,4,6-9,13-14,17H2,1,3H3,(H,27,28)/t18-,20+,21+/m0/s1
InChIKey VQAXCLCEDMBWDV-CEWLAPEOSA-N
Molecular Weight 413.525 g/mol
SMILES N(C(C(F)(F)F)=O)[C@]([C@@](O[C@](CC=C)(CCCCCCCC)[H])(c1ccccc1)[H])(C)[H]
SPLASH splash10-05e9-3940000000-80ee3e9a083c9dc84fbc
Source of Spectrum QE-2-1168-4
Wiley ID 842739