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(S)-3-((R)-1-(4-bromophenyl)-2-nitroethyl)-3-(3-methylbut-2-en-1-yl)indolin-2-one
SpectraBase Compound ID 5tB8M2rFnxS
InChI InChI=1S/C21H21BrN2O3/c1-14(2)11-12-21(17-5-3-4-6-19(17)23-20(21)25)18(13-24(26)27)15-7-9-16(22)10-8-15/h3-11,18H,12-13H2,1-2H3,(H,23,25)/t18-,21-/m1/s1
InChIKey VJDQBBUBYLQOFK-WIYYLYMNSA-N
Mol Weight 429.31 g/mol
Molecular Formula C21H21BrN2O3
Exact Mass 428.073556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLqoSNa8RcU
Name (S)-3-((R)-1-(4-bromophenyl)-2-nitroethyl)-3-(3-methylbut-2-en-1-yl)indolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21BrN2O3
InChI InChI=1S/C21H21BrN2O3/c1-14(2)11-12-21(17-5-3-4-6-19(17)23-20(21)25)18(13-24(26)27)15-7-9-16(22)10-8-15/h3-11,18H,12-13H2,1-2H3,(H,23,25)/t18-,21-/m1/s1
InChIKey VJDQBBUBYLQOFK-WIYYLYMNSA-N
Literature Reference DOI 10.1039/c1sc00390a
Molecular Weight 429.314 g/mol
SMILES N1C([C@@](c2ccccc12)(CC=C(C)C)[C@@](c1ccc(cc1)Br)(C[N+](=O)[O-])[H])=O
SPLASH splash10-00kf-9110000000-fd892df8ff4ddae4cbcf
Source of Spectrum CSS-2-2035/SM9-4o
Wiley ID 1755034