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(R)-5-fluoro-3-(4-methoxyphenyl)-3-((R)-1-nitro-4-oxo-4-phenylbutan-2-yl)indolin-2-one
SpectraBase Compound ID 1fRjBdb7xt5
InChI InChI=1S/C25H21FN2O5/c1-33-20-10-7-17(8-11-20)25(21-14-19(26)9-12-22(21)27-24(25)30)18(15-28(31)32)13-23(29)16-5-3-2-4-6-16/h2-12,14,18H,13,15H2,1H3,(H,27,30)/t18-,25-/m0/s1
InChIKey VCYZUADTPNEDEP-BVZFJXPGSA-N
Mol Weight 448.45 g/mol
Molecular Formula C25H21FN2O5
Exact Mass 448.14345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgucHGW47Fv
Name (R)-5-fluoro-3-(4-methoxyphenyl)-3-((R)-1-nitro-4-oxo-4-phenylbutan-2-yl)indolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21FN2O5
InChI InChI=1S/C25H21FN2O5/c1-33-20-10-7-17(8-11-20)25(21-14-19(26)9-12-22(21)27-24(25)30)18(15-28(31)32)13-23(29)16-5-3-2-4-6-16/h2-12,14,18H,13,15H2,1H3,(H,27,30)/t18-,25-/m0/s1
InChIKey VCYZUADTPNEDEP-BVZFJXPGSA-N
Literature Reference DOI 10.1039/C5CC10096H
Molecular Weight 448.450 g/mol
SMILES N1C([C@](c2c1ccc(c2)F)([C@@](CC(c1ccccc1)=O)(C[N+]([O-])=O)[H])c1ccc(cc1)OC)=O
SPLASH splash10-0a4i-4590000000-f3af973ec63c5cf05fa1
Source of Spectrum KD-52-2537/SM18-12
Wiley ID 1803780