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N-Tfa-L-prolylphenylglycine butyl ester
SpectraBase Compound ID 14qgwAM0PY3
InChI InChI=1S/C19H23F3N2O4/c1-2-3-12-28-16(25)13-24(14-8-5-4-6-9-14)17(26)15-10-7-11-23(15)18(27)19(20,21)22/h4-6,8-9,15H,2-3,7,10-13H2,1H3/t15-/m0/s1
InChIKey VPKBEABNUJBDLF-HNNXBMFYSA-N
Mol Weight 400.4 g/mol
Molecular Formula C19H23F3N2O4
Exact Mass 400.160992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93ncwwsrEX7
Name N-Tfa-L-prolylphenylglycine butyl ester
Alternate Name(s) Butyl ({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}anilino)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23F3N2O4
InChI InChI=1S/C19H23F3N2O4/c1-2-3-12-28-16(25)13-24(14-8-5-4-6-9-14)17(26)15-10-7-11-23(15)18(27)19(20,21)22/h4-6,8-9,15H,2-3,7,10-13H2,1H3/t15-/m0/s1
InChIKey VPKBEABNUJBDLF-HNNXBMFYSA-N
Molecular Weight 400.398 g/mol
SMILES C(N1[C@](C(N(CC(=O)OCCCC)c2ccccc2)=O)(CCC1)[H])(C(F)(F)F)=O
SPLASH splash10-014i-4920000000-325506a8072a01d5ae35
Source of Spectrum W5-1989-9622-1
Wiley ID 1369270