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(S)-5-bromo-3-((R)-1-(4-bromophenyl)-2-nitroethyl)-3-methylindolin-2-one
SpectraBase Compound ID 7ZSpqrvmmw8
InChI InChI=1S/C17H14Br2N2O3/c1-17(13-8-12(19)6-7-15(13)20-16(17)22)14(9-21(23)24)10-2-4-11(18)5-3-10/h2-8,14H,9H2,1H3,(H,20,22)/t14-,17-/m1/s1
InChIKey ZKAGJIKGWQHXDO-RHSMWYFYSA-N
Mol Weight 454.12 g/mol
Molecular Formula C17H14Br2N2O3
Exact Mass 451.937118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0hC05k3W3R
Name (S)-5-bromo-3-((R)-1-(4-bromophenyl)-2-nitroethyl)-3-methylindolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14Br2N2O3
InChI InChI=1S/C17H14Br2N2O3/c1-17(13-8-12(19)6-7-15(13)20-16(17)22)14(9-21(23)24)10-2-4-11(18)5-3-10/h2-8,14H,9H2,1H3,(H,20,22)/t14-,17-/m1/s1
InChIKey ZKAGJIKGWQHXDO-RHSMWYFYSA-N
Literature Reference DOI 10.1039/c1sc00390a
Molecular Weight 454.118 g/mol
SMILES N1C([C@@](c2cc(ccc12)Br)(C)[C@](C[N+](=O)[O-])(c1ccc(Br)cc1)[H])=O
SPLASH splash10-0uyi-2900000000-a5a15d0d9000ca3b0bfb
Source of Spectrum CSS-2-2035/SM10-4s
Wiley ID 1755037