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(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester
SpectraBase Compound ID FvK2wwVVsnf
InChI InChI=1S/C20H17F6NO4/c21-19(22,23)17(20(24,25)26)31-16(28)15(11-13-7-3-1-4-8-13)27-18(29)30-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,27,29)/t15-/m0/s1
InChIKey LQNXNWJXGYBZEY-HNNXBMFYSA-N
Mol Weight 449.35 g/mol
Molecular Formula C20H17F6NO4
Exact Mass 449.106177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yIMAwCT4ga
Name (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester
Alternate Name(s) 1,1,1,3,3,3-hexafluoropropan-2-yl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate
CAS Registry Number 71785-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17F6NO4
InChI InChI=1S/C20H17F6NO4/c21-19(22,23)17(20(24,25)26)31-16(28)15(11-13-7-3-1-4-8-13)27-18(29)30-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,27,29)/t15-/m0/s1
InChIKey LQNXNWJXGYBZEY-HNNXBMFYSA-N
Molecular Weight 449.349 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](C(OC(C(F)(F)F)C(F)(F)F)=O)(Cc1ccccc1)[H]
SPLASH splash10-0006-9000000000-614f2d671893f400162d
Source of Spectrum J-44-4579-0
Wiley ID 1387399