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GRKGPRVKUQAYIM-UHFFFAOYSA-N
SpectraBase Compound ID KTpD1eMOv8K
InChI InChI=1S/C13H5N3O8/c17-12-8-3-6(14(18)19)1-2-11(8)24-13-9(12)4-7(15(20)21)5-10(13)16(22)23/h1-5H
InChIKey GRKGPRVKUQAYIM-UHFFFAOYSA-N
Mol Weight 331.2 g/mol
Molecular Formula C13H5N3O8
Exact Mass 331.007664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjtbMckiePx
Name 2,4,7-TRINITROXANTHEN-9-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H5N3O8
InChI InChI=1S/C13H5N3O8/c17-12-8-3-6(14(18)19)1-2-11(8)24-13-9(12)4-7(15(20)21)5-10(13)16(22)23/h1-5H
InChIKey GRKGPRVKUQAYIM-UHFFFAOYSA-N
Molecular Weight 331.0075
SMILES c12Oc3ccc(cc3C(=O)c2cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
SPLASH splash10-001i-8957000000-5afdaeaad0a5f8b90a6a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany