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(S)-tert-Butyl N-(2,2-difluoro-3-(4-(trifluoromethyl)phenyl)-3-oxo-1-phenylpropyl)carbamate
SpectraBase Compound ID 9ZS3zR3dqnT
InChI InChI=1S/C21H20F5NO3/c1-19(2,3)30-18(29)27-16(13-7-5-4-6-8-13)20(22,23)17(28)14-9-11-15(12-10-14)21(24,25)26/h4-12,16H,1-3H3,(H,27,29)/t16-/m0/s1
InChIKey GAMOXSLHUXYMRQ-INIZCTEOSA-N
Mol Weight 429.39 g/mol
Molecular Formula C21H20F5NO3
Exact Mass 429.136334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1H5qnBU2aW
Name (S)-tert-Butyl N-(2,2-difluoro-3-(4-(trifluoromethyl)phenyl)-3-oxo-1-phenylpropyl)carbamate
Alternate Name(s) (S)-tert-butyl (2,2-difluoro-3-oxo-1-phenyl-3-(4-(trifluoromethyl)phenyl)propyl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20F5NO3
InChI InChI=1S/C21H20F5NO3/c1-19(2,3)30-18(29)27-16(13-7-5-4-6-8-13)20(22,23)17(28)14-9-11-15(12-10-14)21(24,25)26/h4-12,16H,1-3H3,(H,27,29)/t16-/m0/s1
InChIKey GAMOXSLHUXYMRQ-INIZCTEOSA-N
Literature Reference DOI 10.1021/ol200374m
Molecular Weight 429.387 g/mol
SMILES N([C@@](c1ccccc1)(C(F)(C(c1ccc(cc1)C(F)(F)F)=O)F)[H])C(=O)OC(C)(C)C
SPLASH splash10-0a4i-5910000000-6adcdb6886067d24ce51
Source of Spectrum A1-13-1860/SMS16-6m
Wiley ID 1753102