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2-[(3,4-Methylenedioxy)phenyl]-4,6-dinitroindole
SpectraBase Compound ID HPOPQApZWEV
InChI InChI=1S/C15H9N3O6/c19-17(20)9-4-12-10(13(5-9)18(21)22)6-11(16-12)8-1-2-14-15(3-8)24-7-23-14/h1-6,16H,7H2
InChIKey VCBKRFPVWCJDNJ-UHFFFAOYSA-N
Mol Weight 327.25 g/mol
Molecular Formula C15H9N3O6
Exact Mass 327.049135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dfOmGVWLx3
Name 2-[(3,4-Methylenedioxy)phenyl]-4,6-dinitroindole
Alternate Name(s) 2-(1,3-benzodioxol-5-yl)-4,6-dinitro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9N3O6
InChI InChI=1S/C15H9N3O6/c19-17(20)9-4-12-10(13(5-9)18(21)22)6-11(16-12)8-1-2-14-15(3-8)24-7-23-14/h1-6,16H,7H2
InChIKey VCBKRFPVWCJDNJ-UHFFFAOYSA-N
Molecular Weight 327.252 g/mol
SMILES [nH]1c(cc2c1cc(cc2N(=O)=O)N(=O)=O)-c1cc2OCOc2cc1
SPLASH splash10-004r-0289000000-a8fa6e8f70e1e6c78127
Source of Spectrum SO-0-2067-3
Wiley ID 877221