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(2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(hydroxy)phenyl]-N-[3-(trifluoromethyl)benzyl]propanamide
SpectraBase Compound ID 4Rip7cFFVHX
InChI InChI=1S/C22H25F3N2O4/c1-21(2,3)31-20(30)27-18(12-14-7-9-17(28)10-8-14)19(29)26-13-15-5-4-6-16(11-15)22(23,24)25/h4-11,18,28H,12-13H2,1-3H3,(H,26,29)(H,27,30)/t18-/m0/s1
InChIKey DRIWGNLODWCPGK-SFHVURJKSA-N
Mol Weight 438.45 g/mol
Molecular Formula C22H25F3N2O4
Exact Mass 438.176642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YRFowTgjTE
Name (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(hydroxy)phenyl]-N-[3-(trifluoromethyl)benzyl]propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25F3N2O4
InChI InChI=1S/C22H25F3N2O4/c1-21(2,3)31-20(30)27-18(12-14-7-9-17(28)10-8-14)19(29)26-13-15-5-4-6-16(11-15)22(23,24)25/h4-11,18,28H,12-13H2,1-3H3,(H,26,29)(H,27,30)/t18-/m0/s1
InChIKey DRIWGNLODWCPGK-SFHVURJKSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 438.447 g/mol
SMILES N(Cc1cc(ccc1)C(F)(F)F)C([C@](Cc1ccc(cc1)O)(NC(OC(C)(C)C)=O)[H])=O
SPLASH splash10-05fr-0709000000-955db1a33e14fad0b830
Source of Spectrum EP4015501A1
Wiley ID 1884648