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(R)-3-((R)-1-(4-bromophenyl)-2-nitroethyl)-5-fluoro-3-(4-methoxyphenyl)indolin-2-one
SpectraBase Compound ID KtLxFr66J9h
InChI InChI=1S/C23H18BrFN2O4/c1-31-18-9-4-15(5-10-18)23(19-12-17(25)8-11-21(19)26-22(23)28)20(13-27(29)30)14-2-6-16(24)7-3-14/h2-12,20H,13H2,1H3,(H,26,28)/t20-,23-/m1/s1
InChIKey JYQRJNJCTOFQSP-NFBKMPQASA-N
Mol Weight 485.31 g/mol
Molecular Formula C23H18BrFN2O4
Exact Mass 484.043398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItbXYqJRy5q
Name (R)-3-((R)-1-(4-bromophenyl)-2-nitroethyl)-5-fluoro-3-(4-methoxyphenyl)indolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18BrFN2O4
InChI InChI=1S/C23H18BrFN2O4/c1-31-18-9-4-15(5-10-18)23(19-12-17(25)8-11-21(19)26-22(23)28)20(13-27(29)30)14-2-6-16(24)7-3-14/h2-12,20H,13H2,1H3,(H,26,28)/t20-,23-/m1/s1
InChIKey JYQRJNJCTOFQSP-NFBKMPQASA-N
Literature Reference DOI 10.1039/C5CC10096H
Molecular Weight 485.309 g/mol
SMILES N1C([C@](c2c1ccc(c2)F)([C@](C[N+](=O)[O-])(c1ccc(cc1)Br)[H])c1ccc(cc1)OC)=O
SPLASH splash10-0a4i-0490000000-32ec1ce83c6a700493f9
Source of Spectrum KD-52-2537/SM16-10
Wiley ID 1803779