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3-Benzyl-1-methyl-4,6-dinitro-1H-indole
SpectraBase Compound ID 1ohRV3PBo6k
InChI InChI=1S/C16H13N3O4/c1-17-10-12(7-11-5-3-2-4-6-11)16-14(17)8-13(18(20)21)9-15(16)19(22)23/h2-6,8-10H,7H2,1H3
InChIKey COWFYFURBGDEIN-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 5CJKLNsavxx
Name 3-Benzyl-1-methyl-4,6-dinitro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O4
InChI InChI=1S/C16H13N3O4/c1-17-10-12(7-11-5-3-2-4-6-11)16-14(17)8-13(18(20)21)9-15(16)19(22)23/h2-6,8-10H,7H2,1H3
InChIKey COWFYFURBGDEIN-UHFFFAOYSA-N
Molecular Weight 311.297 g/mol
SMILES c12c(cc(cc2N(=O)=O)N(=O)=O)[n](cc1Cc1ccccc1)C
SPLASH splash10-02t9-7890000000-738eac5f866c81b5c389
Source of Spectrum IY-2-5122-9
Synonyms 3-Benzyl-1-methyl-4,6-dinitroindole 1-Methyl-4,6-dinitro-3-(phenylmethyl)indole
Wiley ID 1659212