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2-Methyl-3-(2-nitro-1-phenyl-ethyl)-1H-indole
SpectraBase Compound ID Lk9BSs3rLg1
InChI InChI=1S/C17H16N2O2/c1-12-17(14-9-5-6-10-16(14)18-12)15(11-19(20)21)13-7-3-2-4-8-13/h2-10,15,18H,11H2,1H3
InChIKey WKSOQILTYQNERT-UHFFFAOYSA-N
Mol Weight 280.33 g/mol
Molecular Formula C17H16N2O2
Exact Mass 280.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BP6PoS0BBV2
Name 2-methyl-3-(2-nitro-1-phenylethyl)-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O2
InChI InChI=1S/C17H16N2O2/c1-12-17(14-9-5-6-10-16(14)18-12)15(11-19(20)21)13-7-3-2-4-8-13/h2-10,15,18H,11H2,1H3
InChIKey WKSOQILTYQNERT-UHFFFAOYSA-N
Instrument Name Agilent 7820 A-5890 B
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5578
Molecular Weight 280.327 g/mol
SMILES [nH]1c2ccccc2c(c1C)C(C[N+](=O)[O-])c1ccccc1
SPLASH splash10-0159-1590000000-07ee07dd3a9d962e7431
Source of Spectrum AOC-34-SM13-Fig. S15
Wiley ID 1839572