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tert-Butyl 3-(1,1-difluoro-2-oxo-2-phenylethyl)-5-fluoro-1-methyl-2-oxoindolin-3-ylcarbamate

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tert-Butyl 3-(1,1-difluoro-2-oxo-2-phenylethyl)-5-fluoro-1-methyl-2-oxoindolin-3-ylcarbamate
SpectraBase Compound ID 4gEts8sE37y
InChI InChI=1S/C22H21F3N2O4/c1-20(2,3)31-19(30)26-21(22(24,25)17(28)13-8-6-5-7-9-13)15-12-14(23)10-11-16(15)27(4)18(21)29/h5-12H,1-4H3,(H,26,30)
InChIKey RRDOMJFRTUVQRQ-UHFFFAOYSA-N
Mol Weight 434.42 g/mol
Molecular Formula C22H21F3N2O4
Exact Mass 434.145342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dme3fAWdYKN
Name tert-Butyl 3-(1,1-difluoro-2-oxo-2-phenylethyl)-5-fluoro-1-methyl-2-oxoindolin-3-ylcarbamate
Alternate Name(s) tert-Butyl (3-(1,1-difluoro-2-oxo-2-phenylethyl)-5-fluoro-1-methyl-2-oxoindolin-3-yl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21F3N2O4
InChI InChI=1S/C22H21F3N2O4/c1-20(2,3)31-19(30)26-21(22(24,25)17(28)13-8-6-5-7-9-13)15-12-14(23)10-11-16(15)27(4)18(21)29/h5-12H,1-4H3,(H,26,30)
InChIKey RRDOMJFRTUVQRQ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5OB01895A
Molecular Weight 434.415 g/mol
SMILES N(C1(c2cc(ccc2N(C1=O)C)F)C(C(c1ccccc1)=O)(F)F)C(OC(C)(C)C)=O
SPLASH splash10-004i-2900000000-a661e2ec8440e3b8be97
Source of Spectrum F5-13-10968/SM4-3b
Wiley ID 1802062