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(3S)-tert-butyl 3-chloro-5-methyl-2-oxo-3-phenylindoline-1-carboxylate
SpectraBase Compound ID 2NDNMFsJLCa
InChI InChI=1S/C20H20ClNO3/c1-13-10-11-16-15(12-13)20(21,14-8-6-5-7-9-14)17(23)22(16)18(24)25-19(2,3)4/h5-12H,1-4H3/t20-/m0/s1
InChIKey KCKHWTNLCAOIAE-FQEVSTJZSA-N
Mol Weight 357.84 g/mol
Molecular Formula C20H20ClNO3
Exact Mass 357.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gd17CgjAXQg
Name (3S)-tert-butyl 3-chloro-5-methyl-2-oxo-3-phenylindoline-1-carboxylate
Alternate Name(s) tert-Butyl (S)-3-chloro-5-methyl-2-oxo-3-phenylindoline-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20ClNO3
InChI InChI=1S/C20H20ClNO3/c1-13-10-11-16-15(12-13)20(21,14-8-6-5-7-9-14)17(23)22(16)18(24)25-19(2,3)4/h5-12H,1-4H3/t20-/m0/s1
InChIKey KCKHWTNLCAOIAE-FQEVSTJZSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02323
Molecular Weight 357.837 g/mol
SMILES C1(N(c2ccc(cc2[C@]1(c1ccccc1)Cl)C)C(=O)OC(C)(C)C)=O
SPLASH splash10-05fr-0090000000-16df2d5ff73fe3ffb6ab
Source of Spectrum A1-17-4596/SM14-6d
Wiley ID 1802397