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3-Allyl-3-(5-tert-butyl-2-hydroxyphenyl)-1-methylindolin-2-one
SpectraBase Compound ID IFg7h5cPXg3
InChI InChI=1S/C22H25NO2/c1-6-13-22(16-9-7-8-10-18(16)23(5)20(22)25)17-14-15(21(2,3)4)11-12-19(17)24/h6-12,14,24H,1,13H2,2-5H3
InChIKey FRMTWZNVBQWECN-UHFFFAOYSA-N
Mol Weight 335.45 g/mol
Molecular Formula C22H25NO2
Exact Mass 335.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fbI0LCIuu
Name 3-Allyl-3-(5-tert-butyl-2-hydroxyphenyl)-1-methylindolin-2-one
Alternate Name(s) 3-Allyl-3-(5-(tert-butyl)-2-hydroxyphenyl)-1-methylindolin-2-one
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1773151 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO2
InChI InChI=1S/C22H25NO2/c1-6-13-22(16-9-7-8-10-18(16)23(5)20(22)25)17-14-15(21(2,3)4)11-12-19(17)24/h6-12,14,24H,1,13H2,2-5H3
InChIKey FRMTWZNVBQWECN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201100773
Molecular Weight 335.447 g/mol
SMILES Oc1ccc(cc1C1(C(N(c2c1cccc2)C)=O)CC=C)C(C)(C)C
SPLASH splash10-0006-9050000000-51f5ba8b782cd630c890
Source of Spectrum CAJ-7-233/SM20-5o
Wiley ID 1821244