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3-(2-nitro-1-(3-nitrophenyl)ethyl)-1H-indole
SpectraBase Compound ID 276pQohrvb3
InChI InChI=1S/C16H13N3O4/c20-18(21)10-15(11-4-3-5-12(8-11)19(22)23)14-9-17-16-7-2-1-6-13(14)16/h1-9,15,17H,10H2
InChIKey IXOBHWRUYORXJV-UHFFFAOYSA-N
Mol Weight 311.3 g/mol
Molecular Formula C16H13N3O4
Exact Mass 311.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yfrXpZfoPD
Name 3-(2-nitro-1-(3-nitrophenyl)ethyl)-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O4
InChI InChI=1S/C16H13N3O4/c20-18(21)10-15(11-4-3-5-12(8-11)19(22)23)14-9-17-16-7-2-1-6-13(14)16/h1-9,15,17H,10H2
InChIKey IXOBHWRUYORXJV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.200800071
Molecular Weight 311.297 g/mol
SMILES [nH]1c2c(c(c1)C(c1cc(ccc1)[N+](=O)[O-])C[N+](=O)[O-])cccc2
SPLASH splash10-03dl-6093000000-a534c7a48042740c5bee
Source of Spectrum CAJ-3-1117-3h
Wiley ID 1774996