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(3S)-tert-butyl 3-chloro-5-fluoro -2-oxo-3-p-tolylindoline-1-carboxylate
SpectraBase Compound ID AjsevQyQ5du
InChI InChI=1S/C20H19ClFNO3/c1-12-5-7-13(8-6-12)20(21)15-11-14(22)9-10-16(15)23(17(20)24)18(25)26-19(2,3)4/h5-11H,1-4H3/t20-/m0/s1
InChIKey NVPIRSJEHAWRBN-FQEVSTJZSA-N
Mol Weight 375.83 g/mol
Molecular Formula C20H19ClFNO3
Exact Mass 375.103749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32gvvSqnN4i
Name (3S)-tert-butyl 3-chloro-5-fluoro -2-oxo-3-p-tolylindoline-1-carboxylate
Alternate Name(s) tert-Butyl (S)-3-chloro-5-fluoro-2-oxo-3-(p-tolyl)indoline-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClFNO3
InChI InChI=1S/C20H19ClFNO3/c1-12-5-7-13(8-6-12)20(21)15-11-14(22)9-10-16(15)23(17(20)24)18(25)26-19(2,3)4/h5-11H,1-4H3/t20-/m0/s1
InChIKey NVPIRSJEHAWRBN-FQEVSTJZSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02323
Molecular Weight 375.827 g/mol
SMILES C1(N(c2ccc(cc2[C@]1(c1ccc(cc1)C)Cl)F)C(=O)OC(C)(C)C)=O
SPLASH splash10-0006-1090000000-4a89e19bbf1074e972b8
Source of Spectrum A1-17-4596/SM17-6j
Wiley ID 1802403