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(S)-5-bromo-3-methyl-3-((R)-2-nitro-1-(thiophen-2-yl)ethyl)indolin-2-one
SpectraBase Compound ID A7619bGjZ5N
InChI InChI=1S/C15H13BrN2O3S/c1-15(11(8-18(20)21)13-3-2-6-22-13)10-7-9(16)4-5-12(10)17-14(15)19/h2-7,11H,8H2,1H3,(H,17,19)/t11-,15-/m1/s1
InChIKey IVOBAGUFOAQXBB-IAQYHMDHSA-N
Mol Weight 381.24 g/mol
Molecular Formula C15H13BrN2O3S
Exact Mass 379.983026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YaZKqV99b8
Name (S)-5-bromo-3-methyl-3-((R)-2-nitro-1-(thiophen-2-yl)ethyl)indolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13BrN2O3S
InChI InChI=1S/C15H13BrN2O3S/c1-15(11(8-18(20)21)13-3-2-6-22-13)10-7-9(16)4-5-12(10)17-14(15)19/h2-7,11H,8H2,1H3,(H,17,19)/t11-,15-/m1/s1
InChIKey IVOBAGUFOAQXBB-IAQYHMDHSA-N
Literature Reference DOI 10.1039/c1sc00390a
Molecular Weight 381.244 g/mol
SMILES N1C([C@@](c2c1ccc(c2)Br)(C)[C@](C[N+](=O)[O-])(c1sccc1)[H])=O
SPLASH splash10-004i-0790000000-425ebafb29128d1ade9f
Source of Spectrum CSS-2-2035/SM11-4t
Wiley ID 1755038